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CAS 10166-54-8 1-methyltetrahydro-2(1H)-pyrimidinone(SALTDATA: FREE) molecular structure lightbox
CAS RN: 10166-54-8

1-methyltetrahydro-2(1H)-pyrimidinone(SALTDATA: FREE)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251019 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-002502
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10166-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

10166-54-8 / 1-methyl-1,3-diazinan-2-one

1-METHYLTETRAHYDROPYRIMIDIN-2(1H)-ONE | 1-methyl-1,3-diazinan-2-one | 1-methyltetrahydro-2(1H)-pyrimidinone

Standard CAS: 10166-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10166-54-8
Multi CAS
No
Molecular Formula
C5H10N2O
Molecular Weight
114.150000
Exact Mass
114.079313
SMILES
CN1CCCNC1=O
InChI
InChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
InChIKey
COYPZADTXISTSJ-UHFFFAOYSA-N
Synonyms
1-METHYLTETRAHYDROPYRIMIDIN-2(1H)-ONE 1-methyl-1,3-diazinan-2-one 1-methyltetrahydro-2(1H)-pyrimidinone 2(1H)-Pyrimidinone, tetrahydro-1-methyl- MFCD00196814

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.65
TPSA
32.34

LogP / Solubility

WLOGP
0.03
MLOGP
0.02
XLogP3
-0.3
Consensus LogP
-0.08
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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