4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one

C21H24N6O2 — CID 67222803

IUPAC4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1cccc(Nc2nc(NCCCN3CCCC3=O)nc3cc[nH]c(=O)c23)c1
InChIInChI=1S/C21H24N6O2/c1-14-5-2-6-15(13-14)24-19-18-16(8-10-22-20(18)29)25-21(26-19)23-9-4-12-27-11-3-7-17(27)28/h2,5-6,8,10,13H,3-4,7,9,11-12H2,1H3,(H,22,29)(H2,23,24,25,26)
InChIKeyFRLGVIQKVAJQBW-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.79
Rot. Bonds7

About 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one

4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 67222803) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID67222803
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1cccc(Nc2nc(NCCCN3CCCC3=O)nc3cc[nH]c(=O)c23)c1
InChIInChI=1S/C21H24N6O2/c1-14-5-2-6-15(13-14)24-19-18-16(8-10-22-20(18)29)25-21(26-19)23-9-4-12-27-11-3-7-17(27)28/h2,5-6,8,10,13H,3-4,7,9,11-12H2,1H3,(H,22,29)(H2,23,24,25,26)
InChIKeyFRLGVIQKVAJQBW-UHFFFAOYSA-N
XLogP2.79
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

(2R)-2-methyl-N-[3-[[4-(3-methylanilino)-5-oxo-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]propyl]pyrrolidine-1-carboxamide
CID 123972325
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
15-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 68589193
1-[3-[[2-[(1-methylbenzimidazol-2-yl)amino]-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117081234
1-[3-[[2-(pyrimidin-2-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117080695
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 60732446
1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117090671
1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117078992
1-[3-[[2-[3-[[di(propan-2-yl)amino]methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 68603913
1-[3-(3-methyl-4-nitroanilino)propyl]pyrrolidin-2-one
CID 58598917
1-[3-[[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117091420

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 67222803) is 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1cccc(Nc2nc(NCCCN3CCCC3=O)nc3cc[nH]c(=O)c23)c1.
What is the InChIKey of 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is FRLGVIQKVAJQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-5-2-6-15(13-14)24-19-18-16(8-10-22-20(18)29)25-21(26-19)23-9-4-12-27-11-3-7-17(27)28/h2,5-6,8,10,13H,3-4,7,9,11-12H2,1H3,(H,22,29)(H2,23,24,25,26).
What are the key properties of 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one?
4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 392.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylanilino)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67222803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).