2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide

C20H20N4O2S — CID 2946221

IUPAC2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc(=O)cc(N)n2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-8-10-15(11-9-13)22-19(26)14(2)27-20-23-18(25)12-17(21)24(20)16-6-4-3-5-7-16/h3-12,14H,21H2,1-2H3,(H,22,26)
InChIKeyMNDWVQFAJVPHSE-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.24
Rot. Bonds5

About 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide

2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide (PubChem CID 2946221) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
PubChem CID2946221
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc(=O)cc(N)n2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-8-10-15(11-9-13)22-19(26)14(2)27-20-23-18(25)12-17(21)24(20)16-6-4-3-5-7-16/h3-12,14H,21H2,1-2H3,(H,22,26)
InChIKeyMNDWVQFAJVPHSE-UHFFFAOYSA-N
XLogP3.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide 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

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenylphenyl)acetamide
CID 71600975
2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419165
3-(4-Methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052838
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-2-yl-propionamide
CID 6501425
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
6-hydroxy-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135541177
1-Benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 562408
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methylphenyl)-3-phenylurea
CID 657999
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1307031
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]thio}-N-(2-cyanophenyl)butanamide
CID 3243454

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide (CID 2946221) is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Sc2nc(=O)cc(N)n2-c2ccccc2)cc1.
What is the InChIKey of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide?
The InChIKey is MNDWVQFAJVPHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-8-10-15(11-9-13)22-19(26)14(2)27-20-23-18(25)12-17(21)24(20)16-6-4-3-5-7-16/h3-12,14H,21H2,1-2H3,(H,22,26).
What are the key properties of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide?
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide has a molecular weight of 380.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 2946221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).