5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide

C9H12ClN3O2S — CID 43418256

IUPAC5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NCC(C)O)n1
InChIInChI=1S/C9H12ClN3O2S/c1-5(14)3-11-8(15)7-6(10)4-12-9(13-7)16-2/h4-5,14H,3H2,1-2H3,(H,11,15)
InChIKeyWRWZDSRKDAZTLK-UHFFFAOYSA-N
MW261.73 g/mol
LogP0.96
Rot. Bonds4

About 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 43418256) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID43418256
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NCC(C)O)n1
InChIInChI=1S/C9H12ClN3O2S/c1-5(14)3-11-8(15)7-6(10)4-12-9(13-7)16-2/h4-5,14H,3H2,1-2H3,(H,11,15)
InChIKeyWRWZDSRKDAZTLK-UHFFFAOYSA-N
XLogP0.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-4-carboxamide
CID 103726319
2-[[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]methyl]butanoic acid
CID 65217834
2-[[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218897
N-(2-bromoprop-2-enyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
CID 115594421
(2R)-2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid
CID 78975698
5-chloro-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51935037
5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 113472142
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 103825292
5-chloro-N-(2,2-diphenylpropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24653889
methyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-methylbutanoate
CID 43423370
1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-propan-2-ylthiourea
CID 24672599
5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 103899838

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide (CID 43418256) is 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)NCC(C)O)n1.
What is the InChIKey of 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is WRWZDSRKDAZTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-5(14)3-11-8(15)7-6(10)4-12-9(13-7)16-2/h4-5,14H,3H2,1-2H3,(H,11,15).
What are the key properties of 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 261.73 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 43418256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).