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

C15H18N4OS — CID 22768951

IUPAC2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1cc(SCC(=O)NCCc2ccccc2)nc(N)n1
InChIInChI=1S/C15H18N4OS/c1-11-9-14(19-15(16)18-11)21-10-13(20)17-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyNPEYGWLMSKWQAU-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.82
Rot. Bonds6

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

2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 22768951) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID22768951
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1cc(SCC(=O)NCCc2ccccc2)nc(N)n1
InChIInChI=1S/C15H18N4OS/c1-11-9-14(19-15(16)18-11)21-10-13(20)17-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyNPEYGWLMSKWQAU-UHFFFAOYSA-N
XLogP1.82
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 117068723
N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 23611311
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 43303113
4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 23609750
N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176184
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 8699651
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 18871576
N-[2-(4-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2708663
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3207699
N-[2-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 8806652

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide (CID 22768951) is 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide is Cc1cc(SCC(=O)NCCc2ccccc2)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is NPEYGWLMSKWQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-9-14(19-15(16)18-11)21-10-13(20)17-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,17,20)(H2,16,18,19).
What are the key properties of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 22768951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).