2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

C9H8F2N4O — CID 118295998

IUPAC2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCC(F)F)nc2[nH]1
InChIInChI=1S/C9H8F2N4O/c10-6(11)4-13-9-12-3-5-1-2-7(16)14-8(5)15-9/h1-3,6H,4H2,(H2,12,13,14,15,16)
InChIKeyJCKYEVBQBCJPNB-UHFFFAOYSA-N
MW226.19 g/mol
LogP1.00
Rot. Bonds3

About 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118295998) has the molecular formula C9H8F2N4O and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID118295998
Molecular FormulaC9H8F2N4O
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCC(F)F)nc2[nH]1
InChIInChI=1S/C9H8F2N4O/c10-6(11)4-13-9-12-3-5-1-2-7(16)14-8(5)15-9/h1-3,6H,4H2,(H2,12,13,14,15,16)
InChIKeyJCKYEVBQBCJPNB-UHFFFAOYSA-N
XLogP1.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-difluoroethylamino)-8H-pyrido[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

1-(Trans-4-{[7-Oxo-8-(Propan-2-Yl)-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl]amino}cyclohexyl)-3-Propan-2-Ylurea
CID 91754590
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17
CID 5330203
1-Ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
CID 118146747
1-[4-[(8-Methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
CID 118146764
2-[[1-(2-Methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
CID 118146871
4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 118146872
2-[(4-Aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146891
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 14
CID 5330200
1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
CID 118146817

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 118295998) is 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NCC(F)F)nc2[nH]1.
What is the InChIKey of 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JCKYEVBQBCJPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O/c10-6(11)4-13-9-12-3-5-1-2-7(16)14-8(5)15-9/h1-3,6H,4H2,(H2,12,13,14,15,16).
What are the key properties of 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 226.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118295998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).