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CAS 100991-19-3 5-Pyrimidinol, 2-(difluoromethyl)- (9CI) molecular structure lightbox
CAS RN: 100991-19-3

5-Pyrimidinol, 2-(difluoromethyl)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-001800
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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: ＞97%
  • 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 100991-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

100991-19-3 / 2-(difluoromethyl)pyrimidin-5-ol

2-(Difluoromethyl)pyrimidin-5-ol | 2-(DIFLUOROMETHYL)-5-PYRIMIDINOL | 5-Pyrimidinol, 2-(difluoromethyl)- (9CI)

Standard CAS: 100991-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100991-19-3
Multi CAS
No
Molecular Formula
C5H4F2N2O
Molecular Weight
146.090000
Exact Mass
146.029169
SMILES
C1=C(C=NC(=N1)C(F)F)O
InChI
InChI=1S/C5H4F2N2O/c6-4(7)5-8-1-3(10)2-9-5/h1-2,4,10H
InChIKey
OYNYOGKLXVGLRT-UHFFFAOYSA-N
Synonyms
2-(Difluoromethyl)pyrimidin-5-ol 2-(DIFLUOROMETHYL)-5-PYRIMIDINOL 5-Pyrimidinol, 2-(difluoromethyl)- (9CI) MFCD18822070 YQF0748

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.65
TPSA
46.01

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
0.5
Consensus LogP
0.87
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-2.82

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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