2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide

C15H18N4OS — CID 16560439

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C15H18N4OS/c1-10-8-13(16)19-15(17-10)21-9-14(20)18-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,18,20)(H2,16,17,19)
InChIKeyZQMWJJANEVKVGI-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.34
Rot. Bonds5

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 16560439) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID16560439
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C15H18N4OS/c1-10-8-13(16)19-15(17-10)21-9-14(20)18-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,18,20)(H2,16,17,19)
InChIKeyZQMWJJANEVKVGI-UHFFFAOYSA-N
XLogP2.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2192131
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2192132
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42903441
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7415935
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
CID 51190687
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78765448
N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 4875335
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 23914223
(2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 94218923
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 37466921
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
CID 47110965
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 46562996

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide (CID 16560439) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide is Cc1cc(N)nc(SCC(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is ZQMWJJANEVKVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-8-13(16)19-15(17-10)21-9-14(20)18-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,18,20)(H2,16,17,19).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.34, 5 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-phenylethyl)acetamide is sourced from PubChem (CID 16560439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).