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

C19H24FN3O2 — CID 137255506

IUPAC2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCC(O)CN1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H24FN3O2/c1-2-4-15(24)11-23-8-7-17-16(12-23)19(25)22-18(21-17)10-13-5-3-6-14(20)9-13/h3,5-6,9,15,24H,2,4,7-8,10-12H2,1H3,(H,21,22,25)
InChIKeyVCCNYINCXRRBAO-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.02
Rot. Bonds6

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

2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137255506) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137255506
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCC(O)CN1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H24FN3O2/c1-2-4-15(24)11-23-8-7-17-16(12-23)19(25)22-18(21-17)10-13-5-3-6-14(20)9-13/h3,5-6,9,15,24H,2,4,7-8,10-12H2,1H3,(H,21,22,25)
InChIKeyVCCNYINCXRRBAO-UHFFFAOYSA-N
XLogP2.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-2-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 136086815
2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136320374
6-[2-(4-Fluorophenyl)acetyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135526625
6-[(2-Fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917947
6-[(4-Fluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919801
2-[(2-Fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 136219539
2-[(3-Fluorophenyl)methyl]-6-tetradecanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137247554
2-[(2-Fluorophenyl)methyl]-6-(2-hydroxybutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137251554
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(1-hydroxybutyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 135602008
2-[(4-fluorophenyl)methyl]-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7-carboxylic acid
CID 136348159
2-[2-[2-[benzyl(methyl)amino]ethyl]-5-hydroxy-6-oxo-1H-pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 140117111
2-[8-acetyl-3-hydroxy-9-(hydroxymethyl)-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 140117207

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137255506) is 2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCC(O)CN1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VCCNYINCXRRBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-2-4-15(24)11-23-8-7-17-16(12-23)19(25)22-18(21-17)10-13-5-3-6-14(20)9-13/h3,5-6,9,15,24H,2,4,7-8,10-12H2,1H3,(H,21,22,25).
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 345.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137255506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).