CAS RN: 1187171-94-3
pyriMidin-5-ylMethanesulfonaMide
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1187171-94-3
- Purity/Analytical Methods: >99.0%
1187171-94-3 / pyrimidin-5-ylmethanesulfonamide
Pyrimidin-5-ylmethanesulfonamide | MFCD12913637 | (pyrimidin-5-yl)methanesulfonamide
Basic Information
CAS
1187171-94-3
Multi CAS
No
Molecular Formula
C5H7N3O2S
Molecular Weight
173.200000
Exact Mass
173.025898
SMILES
C1=C(C=NC=N1)CS(=O)(=O)N
InChI
InChI=1S/C5H7N3O2S/c6-11(9,10)3-5-1-7-4-8-2-5/h1-2,4H,3H2,(H2,6,9,10)
InChIKey
WBKDAOSEZREYIA-UHFFFAOYSA-N
Synonyms
Pyrimidin-5-ylmethanesulfonamide
MFCD12913637
(pyrimidin-5-yl)methanesulfonamide
SCHEMBL21827804
CS1659
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.84
TPSA
85.94
LogP / Solubility
WLOGP
-0.73
MLOGP
-0.65
XLogP3
-1.3
Consensus LogP
-0.89
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
Class (SILICOS-IT)
Very 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)
-4.3
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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