7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C21H24N4O2 — CID 66959241

IUPAC7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O2/c1-13(2)23-19-18-17(22-12-25(3)20(18)26)11-16(24-19)14-5-7-15(8-6-14)21(27)9-4-10-21/h5-8,11-13,27H,4,9-10H2,1-3H3,(H,23,24)
InChIKeyDOIMRQUQLHEORQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.19
Rot. Bonds4

About 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959241) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959241
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O2/c1-13(2)23-19-18-17(22-12-25(3)20(18)26)11-16(24-19)14-5-7-15(8-6-14)21(27)9-4-10-21/h5-8,11-13,27H,4,9-10H2,1-3H3,(H,23,24)
InChIKeyDOIMRQUQLHEORQ-UHFFFAOYSA-N
XLogP3.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

N-cyclopropyl-1-(3-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10203632
7-(4-methylphenyl)-5-[[(3S)-piperidin-3-yl]methylamino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 155521232
3-methyl-7-(4-methylphenyl)-5-[[(3S)-piperidin-3-yl]methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 155544000
4-[(5-oxo-2-propan-2-yl-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 168293126
2-amino-1-ethyl-7-(3-hydroxy-3-phenyl-but-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 25123666
2-Methyl-2-[4-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]phenyl]propanenitrile
CID 50923422
5-(Cyclopropylamino)-7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50923703
7-[4-(2-Aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50924119
7-[4-(2-Aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924120
5-(Ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924273
5-(Ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924429
N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide
CID 50924433

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959241) is 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DOIMRQUQLHEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13(2)23-19-18-17(22-12-25(3)20(18)26)11-16(24-19)14-5-7-15(8-6-14)21(27)9-4-10-21/h5-8,11-13,27H,4,9-10H2,1-3H3,(H,23,24).
What are the key properties of 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).