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CAS 42747-84-2 “3-Methyl-6-(1-Methylhydrazin-1-yl)-1,2,3,4-tetrahydropyriMidine-2,4-dione” molecular structure lightbox
CAS RN: 42747-84-2

“3-Methyl-6-(1-Methylhydrazin-1-yl)-1,2,3,4-tetrahydropyriMidine-2,4-dione”

  • Product code: SSC-151011
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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 42747-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

42747-84-2 / 6-[amino(methyl)amino]-3-methyl-1H-pyrimidine-2,4-dione

Standard CAS: 42747-84-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42747-84-2
Multi CAS
Yes
Molecular Formula
C6H10N4O2
Molecular Weight
170.170000
Exact Mass
170.080376
InChI
InChI=1S/C6H10N4O2/c1-9-5(11)3-4(10(2)7)8-6(9)12/h3H,7H2,1-2H3,(H,8,12)
InChIKey
VQUOCQPUWMVVJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
44.89
TPSA
84.12

LogP / Solubility

WLOGP
-1.62
MLOGP
-1.43
XLogP3
-1.2
Consensus LogP
-1.42
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
0.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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