2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide

C16H19ClN4OS — CID 55541824

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)CSc1nc(C)cc(N)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4OS/c1-3-13(11-4-6-12(17)7-5-11)20-15(22)9-23-16-19-10(2)8-14(18)21-16/h4-8,13H,3,9H2,1-2H3,(H,20,22)(H2,18,19,21)
InChIKeyUIXWZTNXOPPGKN-UHFFFAOYSA-N
MW350.88 g/mol
LogP3.38
Rot. Bonds6

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide (PubChem CID 55541824) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide
PubChem CID55541824
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)CSc1nc(C)cc(N)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4OS/c1-3-13(11-4-6-12(17)7-5-11)20-15(22)9-23-16-19-10(2)8-14(18)21-16/h4-8,13H,3,9H2,1-2H3,(H,20,22)(H2,18,19,21)
InChIKeyUIXWZTNXOPPGKN-UHFFFAOYSA-N
XLogP3.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 74597194
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 40663127
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16560439
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide
CID 78801247
2-[2-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46527887
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 51190620
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 4828679
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 47025945
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 46562996
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
CID 47110965
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide (CID 55541824) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide is CCC(NC(=O)CSc1nc(C)cc(N)n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide?
The InChIKey is UIXWZTNXOPPGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c1-3-13(11-4-6-12(17)7-5-11)20-15(22)9-23-16-19-10(2)8-14(18)21-16/h4-8,13H,3,9H2,1-2H3,(H,20,22)(H2,18,19,21).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide has a molecular weight of 350.88 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 55541824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).