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

C16H20N4OS — CID 18130843

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)N(C)C(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4OS/c1-11-9-14(17)19-16(18-11)22-10-15(21)20(3)12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H2,17,18,19)
InChIKeyIWEYCAPHULIKDW-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.68
Rot. Bonds5

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

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 18130843) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID18130843
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)N(C)C(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4OS/c1-11-9-14(17)19-16(18-11)22-10-15(21)20(3)12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H2,17,18,19)
InChIKeyIWEYCAPHULIKDW-UHFFFAOYSA-N
XLogP2.68
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
6-Benzyl-2-(o-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861690
6-Benzyl-2-(m-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861691
6-Benzyl-2-phenethylsulfanyl-pyrimidin-4-amine
CID 46889064
6-Benzyl-2-(benzylsulfanyl)pyrimidin-4-amine
CID 46889062
6-Benzyl-2-(3-phenylpropylsulfanyl)pyrimidin-4-amine
CID 46889090
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 1154148
4-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2161841
N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
CID 3221482
2-(2,6-Difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)thiazolidin-4-one
CID 16728917
1-(6-Methyl-2-phenyl-pyrimidin-4-yl)-piperidine-4-carboxylic acid amide
CID 1448091
1-(4-Methyl-6-phenyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid allylamide
CID 646087

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide (CID 18130843) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide is Cc1cc(N)nc(SCC(=O)N(C)C(C)c2ccccc2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is IWEYCAPHULIKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-9-14(17)19-16(18-11)22-10-15(21)20(3)12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 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-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18130843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).