7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one

C20H17N5O2 — CID 141021252

IUPAC7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1ccc(CNc2ncc3cnc(=O)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H17N5O2/c1-27-17-9-7-14(8-10-17)11-21-19-22-12-15-13-23-20(26)25(18(15)24-19)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3,(H,21,22,24)
InChIKeyGFOHEWKUGJITCF-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.80
Rot. Bonds5

About 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one

7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one (PubChem CID 141021252) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one
PubChem CID141021252
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1ccc(CNc2ncc3cnc(=O)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H17N5O2/c1-27-17-9-7-14(8-10-17)11-21-19-22-12-15-13-23-20(26)25(18(15)24-19)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3,(H,21,22,24)
InChIKeyGFOHEWKUGJITCF-UHFFFAOYSA-N
XLogP2.80
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one 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-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 69378637
11-[(3-methoxyphenyl)methylamino]-8-phenyl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90408378
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
[2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20959729
2-(benzylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 5330204
5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 90902051
2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 10226621
3-[(1S)-1-aminoethyl]-8-[(4-methoxyphenyl)methylamino]-2-phenylisoquinolin-1-one
CID 118003973
1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one
CID 15423123
2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 20959733
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen
CID 142224853

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one (CID 141021252) is 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one is COc1ccc(CNc2ncc3cnc(=O)n(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is GFOHEWKUGJITCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-17-9-7-14(8-10-17)11-21-19-22-12-15-13-23-20(26)25(18(15)24-19)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3,(H,21,22,24).
What are the key properties of 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one?
7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 359.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 141021252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).