2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C8H8FN3O — CID 142647205

IUPAC2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2cnc(CF)nc2N1
InChIInChI=1S/C8H8FN3O/c9-3-6-10-4-5-1-2-7(13)12-8(5)11-6/h4H,1-3H2,(H,10,11,12,13)
InChIKeyVQCRWLSGWKJGHE-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.83
Rot. Bonds1

About 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 142647205) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID142647205
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2cnc(CF)nc2N1
InChIInChI=1S/C8H8FN3O/c9-3-6-10-4-5-1-2-7(13)12-8(5)11-6/h4H,1-3H2,(H,10,11,12,13)
InChIKeyVQCRWLSGWKJGHE-UHFFFAOYSA-N
XLogP0.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5H,6H,7H,8H-pyrido(2,3-d)pyrimidin-7-one
CID 84021243
1-{2-[(5-Ethyl-2-methylpyrimidin-4-yl)amino]ethyl}piperidine-3-carboxamide
CID 50958308
6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one
CID 78225824
4-amino-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 356367
5,6-Dihydropyrido[2,3-d]pyrimidin-7(8h)-one
CID 21976402
4-Amino-7-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 82414948
3-(Pyrimidin-5-yl)propanamide
CID 91363418
2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67111983
4-[2-(Trifluoromethyl)pyrimidin-5-yl]piperidin-2-one
CID 76673371
4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 141291416
1-[N'-(3,3-difluorocyclobutyl)-N-methylidenecarbamimidoyl]-2-methyl-3-(7-oxospiro[5,8-dihydropyrido[2,3-d]pyrimidine-6,1'-cyclopropane]-2-yl)guanidine
CID 144816548
3-[2-(Trifluoromethyl)pyrimidin-5-yl]propanamide
CID 173515550

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 142647205) is 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CCc2cnc(CF)nc2N1.
What is the InChIKey of 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VQCRWLSGWKJGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c9-3-6-10-4-5-1-2-7(13)12-8(5)11-6/h4H,1-3H2,(H,10,11,12,13).
What are the key properties of 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 181.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142647205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).