2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one

C15H15N4O+ — CID 135710682

IUPAC2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one
SMILESCc1cc(C)[n+](-c2ccccc2)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C15H14N4O/c1-9-8-10(2)19(11-6-4-3-5-7-11)13-12(9)14(20)18-15(16)17-13/h3-8H,1-2H3,(H2,16,18,20)/p+1
InChIKeyZNKAUFUEYRFGPB-UHFFFAOYSA-O
MW267.31 g/mol
LogP1.40
Rot. Bonds1

About 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one

2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one (PubChem CID 135710682) has the molecular formula C15H15N4O+ and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one.

Molecular Properties

Compound Name2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one
PubChem CID135710682
Molecular FormulaC15H15N4O+
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one
SMILESCc1cc(C)[n+](-c2ccccc2)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C15H14N4O/c1-9-8-10(2)19(11-6-4-3-5-7-11)13-12(9)14(20)18-15(16)17-13/h3-8H,1-2H3,(H2,16,18,20)/p+1
InChIKeyZNKAUFUEYRFGPB-UHFFFAOYSA-O
XLogP1.40
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride
CID 162327470
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 165438335
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2101204
2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one
CID 135837392
2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydron;dichloride
CID 135878881
2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055590
2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137275792
2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136728596
8-amino-3-methyl-1H-1,7-naphthyridin-2-one
CID 146573775

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one?
The IUPAC name of 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one (CID 135710682) is 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one.
What is the SMILES notation for 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one?
The canonical SMILES for 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one is Cc1cc(C)[n+](-c2ccccc2)c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one?
The InChIKey is ZNKAUFUEYRFGPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H14N4O/c1-9-8-10(2)19(11-6-4-3-5-7-11)13-12(9)14(20)18-15(16)17-13/h3-8H,1-2H3,(H2,16,18,20)/p+1.
What are the key properties of 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one?
2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one has a molecular weight of 267.31 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one is sourced from PubChem (CID 135710682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).