6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C9H10F3N3O — CID 135861536

IUPAC6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCc2nc(C(F)(F)F)[nH]c(=O)c2C1
InChIInChI=1S/C9H10F3N3O/c1-15-3-2-6-5(4-15)7(16)14-8(13-6)9(10,11)12/h2-4H2,1H3,(H,13,14,16)
InChIKeyLSDCTHVSVLCDJF-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.78
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861536) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135861536
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCc2nc(C(F)(F)F)[nH]c(=O)c2C1
InChIInChI=1S/C9H10F3N3O/c1-15-3-2-6-5(4-15)7(16)14-8(13-6)9(10,11)12/h2-4H2,1H3,(H,13,14,16)
InChIKeyLSDCTHVSVLCDJF-UHFFFAOYSA-N
XLogP0.78
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861536) is 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CN1CCc2nc(C(F)(F)F)[nH]c(=O)c2C1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LSDCTHVSVLCDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-15-3-2-6-5(4-15)7(16)14-8(13-6)9(10,11)12/h2-4H2,1H3,(H,13,14,16).
What are the key properties of 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 233.19 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).