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

C13H12F3N3O2 — CID 135867126

IUPAC7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2c1CCN(Cc1ccco1)C2
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)12-17-10-7-19(6-8-2-1-5-21-8)4-3-9(10)11(20)18-12/h1-2,5H,3-4,6-7H2,(H,17,18,20)
InChIKeyNFTKVFQTRWRIRG-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.94
Rot. Bonds2

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

7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135867126) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135867126
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2c1CCN(Cc1ccco1)C2
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)12-17-10-7-19(6-8-2-1-5-21-8)4-3-9(10)11(20)18-12/h1-2,5H,3-4,6-7H2,(H,17,18,20)
InChIKeyNFTKVFQTRWRIRG-UHFFFAOYSA-N
XLogP1.94
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135448588
2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 1083179
3-((Sec-butylimino)ME)2-((2-furyl-ME)amino)-9-ME-4H-pyrido(1,2-A)pyrimidin-4-one
CID 4194806
N-(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
CID 18566204
4-(furan-2-ylmethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135849728
N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 5310240
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
CID 7217017
2-Amino-4-(furan-2-yl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 137086378
1-(2-furylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
CID 704578
4-(2-furyl)-7-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 1208090
7-Methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9101903
2-[4-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-[(furan-2-yl)methyl]acetamide
CID 25884641

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135867126) is 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(C(F)(F)F)nc2c1CCN(Cc1ccco1)C2.
What is the InChIKey of 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NFTKVFQTRWRIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)12-17-10-7-19(6-8-2-1-5-21-8)4-3-9(10)11(20)18-12/h1-2,5H,3-4,6-7H2,(H,17,18,20).
What are the key properties of 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 299.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135867126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).