6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C18H21FN6O — CID 69036825

IUPAC6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCNc1ncc2cc(-c3ccc(F)c(N)c3)c(=O)n(C)c2n1
InChIInChI=1S/C18H21FN6O/c1-24(2)7-6-21-18-22-10-12-8-13(17(26)25(3)16(12)23-18)11-4-5-14(19)15(20)9-11/h4-5,8-10H,6-7,20H2,1-3H3,(H,21,22,23)
InChIKeyQUOREWDUPBSSDQ-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.69
Rot. Bonds5

About 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 69036825) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID69036825
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC Name6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCNc1ncc2cc(-c3ccc(F)c(N)c3)c(=O)n(C)c2n1
InChIInChI=1S/C18H21FN6O/c1-24(2)7-6-21-18-22-10-12-8-13(17(26)25(3)16(12)23-18)11-4-5-14(19)15(20)9-11/h4-5,8-10H,6-7,20H2,1-3H3,(H,21,22,23)
InChIKeyQUOREWDUPBSSDQ-UHFFFAOYSA-N
XLogP1.69
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-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

N-[3-[[6-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorophenyl]-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]-N-methylacetamide
CID 164529607
N-[2,4-difluoro-3-[2-(3-hydroxypropylamino)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]propane-1-sulfonamide
CID 56955962
7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one
CID 69035893
1-(3,5-dimethylphenyl)-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
CID 69297400
2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 170437515
2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 69296204
2-(ethylamino)-6-(2-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 20626992
6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 20626942
tert-butyl N-[3-[[6-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]phenyl]-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]-N-methylcarbamate
CID 169291173
4-[[6-[2,6-difluoro-3-(pyrrolidin-1-ylsulfanylamino)phenyl]-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]butanoic acid
CID 164529596
6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 20626946
1-[5-(2-amino-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 68983802

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 69036825) is 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one is CN(C)CCNc1ncc2cc(-c3ccc(F)c(N)c3)c(=O)n(C)c2n1.
What is the InChIKey of 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QUOREWDUPBSSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-24(2)7-6-21-18-22-10-12-8-13(17(26)25(3)16(12)23-18)11-4-5-14(19)15(20)9-11/h4-5,8-10H,6-7,20H2,1-3H3,(H,21,22,23).
What are the key properties of 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 356.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 69036825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).