2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one

C21H18N4O2 — CID 69378637

IUPAC2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(CNc2ncc3ccc(=O)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C21H18N4O2/c1-27-18-10-7-15(8-11-18)13-22-21-23-14-16-9-12-19(26)25(20(16)24-21)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,22,23,24)
InChIKeyWAMBMXDAXWDGOC-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.40
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one

2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 69378637) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
PubChem CID69378637
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(CNc2ncc3ccc(=O)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C21H18N4O2/c1-27-18-10-7-15(8-11-18)13-22-21-23-14-16-9-12-19(26)25(20(16)24-21)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,22,23,24)
InChIKeyWAMBMXDAXWDGOC-UHFFFAOYSA-N
XLogP3.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(4-methoxyphenyl)methylamino]-1-phenylpyrimido[4,5-d]pyrimidin-2-one
CID 141021252
2-(benzylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 5330204
8-phenyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 69378325
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
2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374812
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
5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 90902051
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
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
2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 20959733

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one (CID 69378637) is 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(CNc2ncc3ccc(=O)n(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WAMBMXDAXWDGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-18-10-7-15(8-11-18)13-22-21-23-14-16-9-12-19(26)25(20(16)24-21)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,22,23,24).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?
2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 358.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 69378637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).