2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide

C13H18ClN3OS — CID 114234027

IUPAC2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide
SMILESCCCc1nc(Cl)c(C)c(SCC(=O)NC2CC2)n1
InChIInChI=1S/C13H18ClN3OS/c1-3-4-10-16-12(14)8(2)13(17-10)19-7-11(18)15-9-5-6-9/h9H,3-7H2,1-2H3,(H,15,18)
InChIKeyIUCBGVSLPPJQCZ-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.76
Rot. Bonds6

About 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide (PubChem CID 114234027) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide
PubChem CID114234027
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide
SMILESCCCc1nc(Cl)c(C)c(SCC(=O)NC2CC2)n1
InChIInChI=1S/C13H18ClN3OS/c1-3-4-10-16-12(14)8(2)13(17-10)19-7-11(18)15-9-5-6-9/h9H,3-7H2,1-2H3,(H,15,18)
InChIKeyIUCBGVSLPPJQCZ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide (CID 114234027) is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide is CCCc1nc(Cl)c(C)c(SCC(=O)NC2CC2)n1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is IUCBGVSLPPJQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-3-4-10-16-12(14)8(2)13(17-10)19-7-11(18)15-9-5-6-9/h9H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide?
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 299.83 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 114234027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).