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

C16H17F3N4O2 — CID 135947412

IUPAC2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cccnc1OCC(F)(F)F)CC2
InChIInChI=1S/C16H17F3N4O2/c1-10-21-13-4-6-23(8-12(13)14(24)22-10)7-11-3-2-5-20-15(11)25-9-16(17,18)19/h2-3,5H,4,6-9H2,1H3,(H,21,22,24)
InChIKeyXVILJDPHUMWVHE-UHFFFAOYSA-N
MW354.33 g/mol
LogP1.97
Rot. Bonds4

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

2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135947412) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135947412
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cccnc1OCC(F)(F)F)CC2
InChIInChI=1S/C16H17F3N4O2/c1-10-21-13-4-6-23(8-12(13)14(24)22-10)7-11-3-2-5-20-15(11)25-9-16(17,18)19/h2-3,5H,4,6-9H2,1H3,(H,21,22,24)
InChIKeyXVILJDPHUMWVHE-UHFFFAOYSA-N
XLogP1.97
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917827
6-[(2-ethynylphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917747
2-methyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946139
2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943280
6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917249
6-[(3-tert-butyl-2-hydroxyphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919184
6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946522
2-cyclohexyl-6-[(2-methoxy-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945255
2-(furan-2-yl)-6-[(2-methoxy-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945250
6-[(2,5-dimethylphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917207
2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944799
6-[(2-methyl-3-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135947412) is 2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1cccnc1OCC(F)(F)F)CC2.
What is the InChIKey of 2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XVILJDPHUMWVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-10-21-13-4-6-23(8-12(13)14(24)22-10)7-11-3-2-5-20-15(11)25-9-16(17,18)19/h2-3,5H,4,6-9H2,1H3,(H,21,22,24).
What are the key properties of 2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 354.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135947412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).