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

C15H16F3N3O2 — CID 135861574

IUPAC6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCc1ccc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)o1
InChIInChI=1S/C15H16F3N3O2/c1-2-9-3-4-10(23-9)7-21-6-5-12-11(8-21)13(22)20-14(19-12)15(16,17)18/h3-4H,2,5-8H2,1H3,(H,19,20,22)
InChIKeyZFVWLJURAXUGGX-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.50
Rot. Bonds3

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

6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861574) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135861574
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCc1ccc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)o1
InChIInChI=1S/C15H16F3N3O2/c1-2-9-3-4-10(23-9)7-21-6-5-12-11(8-21)13(22)20-14(19-12)15(16,17)18/h3-4H,2,5-8H2,1H3,(H,19,20,22)
InChIKeyZFVWLJURAXUGGX-UHFFFAOYSA-N
XLogP2.50
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(Furan-2-ylmethyl)-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
CID 1302140
N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 5310240
7-Methyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9101903
7-Methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47050181
9-Methyl-2-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47059954
3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one
CID 58808633
5-Chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide
CID 59151616
5-Chloro-2-imino-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,2-dihydropyridine-3-carboxamide hydrochloride
CID 68662202
1-[5-[2-[(4Z)-4-(2-fluoropropylidene)-5-methylimino-1H-pyrrol-2-yl]ethynyl]furan-2-yl]-N,N-dimethylmethanamine
CID 137291306
2,2,2-trifluoro-N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]acetamide
CID 141232924
5-[(E)-but-2-enyl]-2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 135898807
2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methyl-5-(3-methylbut-2-enyl)-1H-pyrimidin-6-one
CID 135898808

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861574) is 6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCc1ccc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)o1.
What is the InChIKey of 6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZFVWLJURAXUGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-2-9-3-4-10(23-9)7-21-6-5-12-11(8-21)13(22)20-14(19-12)15(16,17)18/h3-4H,2,5-8H2,1H3,(H,19,20,22).
What are the key properties of 6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 327.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethylfuran-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).