[5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea

C19H22N8O — CID 10293038

IUPAC[5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESCc1cc(NC(N)=O)nc2nc(Nc3ccc(N4CCNCC4)cc3)ncc12
InChIInChI=1S/C19H22N8O/c1-12-10-16(25-18(20)28)24-17-15(12)11-22-19(26-17)23-13-2-4-14(5-3-13)27-8-6-21-7-9-27/h2-5,10-11,21H,6-9H2,1H3,(H4,20,22,23,24,25,26,28)
InChIKeyPGQSLDLNYLTRIQ-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.98
Rot. Bonds4

About [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea

[5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea (PubChem CID 10293038) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea.

Molecular Properties

Compound Name[5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
PubChem CID10293038
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name[5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESCc1cc(NC(N)=O)nc2nc(Nc3ccc(N4CCNCC4)cc3)ncc12
InChIInChI=1S/C19H22N8O/c1-12-10-16(25-18(20)28)24-17-15(12)11-22-19(26-17)23-13-2-4-14(5-3-13)27-8-6-21-7-9-27/h2-5,10-11,21H,6-9H2,1H3,(H4,20,22,23,24,25,26,28)
InChIKeyPGQSLDLNYLTRIQ-UHFFFAOYSA-N
XLogP1.98
TPSA121.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 70111699
4-methyl-N-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]piperazine-1-carboxamide
CID 10204086
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
1-tert-butyl-3-[6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 10138032
7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 59290955
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071
3-N-(2,6-dimethylphenyl)-1-methyl-6-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 166545794
1-[6-cyano-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-cyclohexylurea
CID 10183766
8-methyl-2-(4-piperazin-1-ylanilino)-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
CID 142733067
cyclopentyl N-[5-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-yl]carbamate
CID 171546287
N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58015796
1-[4-[4-[(4-amino-5-methylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 141476497

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The IUPAC name of [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea (CID 10293038) is [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea.
What is the SMILES notation for [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The canonical SMILES for [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea is Cc1cc(NC(N)=O)nc2nc(Nc3ccc(N4CCNCC4)cc3)ncc12.
What is the InChIKey of [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The InChIKey is PGQSLDLNYLTRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-12-10-16(25-18(20)28)24-17-15(12)11-22-19(26-17)23-13-2-4-14(5-3-13)27-8-6-21-7-9-27/h2-5,10-11,21H,6-9H2,1H3,(H4,20,22,23,24,25,26,28).
What are the key properties of [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
[5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea has a molecular weight of 378.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea is sourced from PubChem (CID 10293038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).