N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide

C8H10ClN3OS — CID 657978

IUPACN-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
SMILESCSc1nc(NC(C)=O)nc(C)c1Cl
InChIInChI=1S/C8H10ClN3OS/c1-4-6(9)7(14-3)12-8(10-4)11-5(2)13/h1-3H3,(H,10,11,12,13)
InChIKeyPNYBVOMDWLKRBS-UHFFFAOYSA-N
MW231.71 g/mol
LogP2.12
Rot. Bonds2

About N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide

N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide (PubChem CID 657978) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
PubChem CID657978
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC NameN-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
SMILESCSc1nc(NC(C)=O)nc(C)c1Cl
InChIInChI=1S/C8H10ClN3OS/c1-4-6(9)7(14-3)12-8(10-4)11-5(2)13/h1-3H3,(H,10,11,12,13)
InChIKeyPNYBVOMDWLKRBS-UHFFFAOYSA-N
XLogP2.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester
CID 604644
N-[4-methyl-6-(methylthio)pyrimidin-2-yl]acetamide
CID 742810
N-(5-Bromo-4-methyl-6-methylsulfanyl-pyrimidin-2-yl)-acetamide
CID 767988
Methyl 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanylacetate
CID 704658
N-(6-ethylthio-4-methylpyrimidin-2-yl)propanamide
CID 766323
5-Chloro-2-fluoro-4-methyl-6-methylsulfanylpyrimidine
CID 13630767
5-Chloro-4-methyl-2,6-bis(methylsulfanyl)pyrimidine
CID 312648
Methyl 2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanylacetate;hydrochloride
CID 126476326
2-[(2-amino-5-chloro-6-methyl-4-pyrimidinyl)sulfanyl]-N-methylacetamide
CID 1482488
2,5-Dichloro-4-methyl-6-methylsulfanylpyrimidine
CID 19846693
N-(5-chloro-2,6-dimethylpyrimidin-4-yl)-2-sulfanylacetamide
CID 88223920
N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide
CID 139881780

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The IUPAC name of N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide (CID 657978) is N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide is CSc1nc(NC(C)=O)nc(C)c1Cl.
What is the InChIKey of N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The InChIKey is PNYBVOMDWLKRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c1-4-6(9)7(14-3)12-8(10-4)11-5(2)13/h1-3H3,(H,10,11,12,13).
What are the key properties of N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide has a molecular weight of 231.71 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 657978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).