3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one

C10H8F3N3O — CID 150022556

IUPAC3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCCn1c(C(F)(F)F)nc2cccnc2c1=O
InChIInChI=1S/C10H8F3N3O/c1-2-16-8(17)7-6(4-3-5-14-7)15-9(16)10(11,12)13/h3-5H,2H2,1H3
InChIKeyDFOBGWHDDICRNE-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.83
Rot. Bonds1

About 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one

3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 150022556) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID150022556
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCCn1c(C(F)(F)F)nc2cccnc2c1=O
InChIInChI=1S/C10H8F3N3O/c1-2-16-8(17)7-6(4-3-5-14-7)15-9(16)10(11,12)13/h3-5H,2H2,1H3
InChIKeyDFOBGWHDDICRNE-UHFFFAOYSA-N
XLogP1.83
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one
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1-butyl-2-(trifluoromethyl)benzimidazole
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N-(3-methyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
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3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71648739
1-butan-2-yl-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331591
4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
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3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
6-alumanyl-4-ethyl-3-(trifluoromethyl)-1,2,4-triazin-5-one
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1-ethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 7619878
2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
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4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole
CID 154263597

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one (CID 150022556) is 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one is CCn1c(C(F)(F)F)nc2cccnc2c1=O.
What is the InChIKey of 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is DFOBGWHDDICRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-2-16-8(17)7-6(4-3-5-14-7)15-9(16)10(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one?
3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 243.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 150022556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).