N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide

C19H19N5O3S — CID 46397352

IUPACN-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2nc(C)ncc2c1=O
InChIInChI=1S/C19H19N5O3S/c1-4-24-18(27)15-9-20-12(3)21-17(15)23-19(24)28-10-16(26)22-14-7-5-13(6-8-14)11(2)25/h5-9H,4,10H2,1-3H3,(H,22,26)
InChIKeyFQVNXFUACATSPQ-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.45
Rot. Bonds6

About N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide

N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 46397352) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID46397352
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2nc(C)ncc2c1=O
InChIInChI=1S/C19H19N5O3S/c1-4-24-18(27)15-9-20-12(3)21-17(15)23-19(24)28-10-16(26)22-14-7-5-13(6-8-14)11(2)25/h5-9H,4,10H2,1-3H3,(H,22,26)
InChIKeyFQVNXFUACATSPQ-UHFFFAOYSA-N
XLogP2.45
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide 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

N-(4-acetylphenyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 1206737
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 163408939
N-(4-acetylphenyl)-2-[[4-ethyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19733008
N-(4-acetamidophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198855
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 8674846
N-(4-acetylphenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1155205
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 8674833
4-[[2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propylbenzamide
CID 46351087
N-(4-acetylphenyl)-2-(3-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2080880
N-(4-acetylphenyl)-2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1153368
2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 135399186
N-(4-acetylphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214197

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide (CID 46397352) is N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide is CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2nc(C)ncc2c1=O.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is FQVNXFUACATSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-4-24-18(27)15-9-20-12(3)21-17(15)23-19(24)28-10-16(26)22-14-7-5-13(6-8-14)11(2)25/h5-9H,4,10H2,1-3H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 397.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-ethyl-7-methyl-4-oxopyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46397352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).