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

C8H6F3N3O — CID 67111983

IUPAC2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2cnc(C(F)(F)F)nc2N1
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)7-12-3-4-1-2-5(15)13-6(4)14-7/h3H,1-2H2,(H,12,13,14,15)
InChIKeyRASRVISVLWVDDJ-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.38
Rot. Bonds

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

2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67111983) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67111983
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2cnc(C(F)(F)F)nc2N1
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)7-12-3-4-1-2-5(15)13-6(4)14-7/h3H,1-2H2,(H,12,13,14,15)
InChIKeyRASRVISVLWVDDJ-UHFFFAOYSA-N
XLogP1.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.38
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
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
2-sulfanylidene-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-1H-pyrimidin-4-one
CID 21936175
4-[2-(Trifluoromethyl)pyrimidin-5-yl]piperidin-2-one
CID 76673371
4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666579
(R)-4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666581
1-(4-Aminopiperidin-1-yl)-5-[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]pentan-1-one
CID 90705288
4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 141291416
2-(fluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 142647205

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67111983) is 2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CCc2cnc(C(F)(F)F)nc2N1.
What is the InChIKey of 2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RASRVISVLWVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c9-8(10,11)7-12-3-4-1-2-5(15)13-6(4)14-7/h3H,1-2H2,(H,12,13,14,15).
What are the key properties of 2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 217.15 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67111983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).