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

C15H15F3N4O — CID 135943280

IUPAC2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ccc(C(F)(F)F)nc1)CC2
InChIInChI=1S/C15H15F3N4O/c1-9-20-12-4-5-22(8-11(12)14(23)21-9)7-10-2-3-13(19-6-10)15(16,17)18/h2-3,6H,4-5,7-8H2,1H3,(H,20,21,23)
InChIKeyFFJMIWQQKPYMME-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.05
Rot. Bonds2

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

2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943280) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943280
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ccc(C(F)(F)F)nc1)CC2
InChIInChI=1S/C15H15F3N4O/c1-9-20-12-4-5-22(8-11(12)14(23)21-9)7-10-2-3-13(19-6-10)15(16,17)18/h2-3,6H,4-5,7-8H2,1H3,(H,20,21,23)
InChIKeyFFJMIWQQKPYMME-UHFFFAOYSA-N
XLogP2.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945979
6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945279
6-[(3,4-dichlorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674510
2-methyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918226
2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944799
6-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917827
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945642
6-[(5-bromo-3-pyridinyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944639
6-[(3,4-dimethylphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918407
2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947412
2-[4-(trifluoromethyl)phenyl]-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945434
6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943280) is 2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1ccc(C(F)(F)F)nc1)CC2.
What is the InChIKey of 2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FFJMIWQQKPYMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-9-20-12-4-5-22(8-11(12)14(23)21-9)7-10-2-3-13(19-6-10)15(16,17)18/h2-3,6H,4-5,7-8H2,1H3,(H,20,21,23).
What are the key properties of 2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 324.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).