2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide

C13H18ClN3OS — CID 114233995

IUPAC2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H18ClN3OS/c1-3-6-15-10(18)7-19-13-8(2)11(14)16-12(17-13)9-4-5-9/h9H,3-7H2,1-2H3,(H,15,18)
InChIKeyTYJGGPALIXEXJG-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.93
Rot. Bonds6

About 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide

2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide (PubChem CID 114233995) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide
PubChem CID114233995
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H18ClN3OS/c1-3-6-15-10(18)7-19-13-8(2)11(14)16-12(17-13)9-4-5-9/h9H,3-7H2,1-2H3,(H,15,18)
InChIKeyTYJGGPALIXEXJG-UHFFFAOYSA-N
XLogP2.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-Chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-ylthio]acetamide
CID 86617304
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 80970618
2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 80975272
4-Chloro-2-cyclopropyl-5-methyl-6-(2-methylpropylsulfanyl)pyrimidine
CID 80977721
4-Butylsulfanyl-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80977740
2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
CID 80977949
4-Chloro-2-cyclopropyl-6-(3-methoxypropylsulfanyl)-5-methylpyrimidine
CID 80978282
2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80978413
4-Butan-2-ylsulfanyl-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80978683
Methyl 3-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80989774
Methyl 2-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylacetate
CID 80989906
Methyl 3-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpropanoate
CID 80990008

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide?
The IUPAC name of 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide (CID 114233995) is 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide is CCCNC(=O)CSc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide?
The InChIKey is TYJGGPALIXEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-3-6-15-10(18)7-19-13-8(2)11(14)16-12(17-13)9-4-5-9/h9H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide?
2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide has a molecular weight of 299.83 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 114233995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).