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

C19H24FN3O2 — CID 135816603

IUPAC2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)[C@@H](O)CN1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H24FN3O2/c1-12(2)17(24)11-23-7-6-16-15(10-23)19(25)22-18(21-16)9-13-4-3-5-14(20)8-13/h3-5,8,12,17,24H,6-7,9-11H2,1-2H3,(H,21,22,25)/t17-/m0/s1
InChIKeyMVWCTKSIYWGQKQ-KRWDZBQOSA-N
MW345.42 g/mol
LogP1.87
Rot. Bonds5

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

2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135816603) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135816603
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)[C@@H](O)CN1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H24FN3O2/c1-12(2)17(24)11-23-7-6-16-15(10-23)19(25)22-18(21-16)9-13-4-3-5-14(20)8-13/h3-5,8,12,17,24H,6-7,9-11H2,1-2H3,(H,21,22,25)/t17-/m0/s1
InChIKeyMVWCTKSIYWGQKQ-KRWDZBQOSA-N
XLogP1.87
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2-hydroxypropyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135816626
6-(2-hydroxypropyl)-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135473884
6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593452
6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619248
6-(2-hydroxypropyl)-2-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135540683
6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593482
2-[(3-fluorophenyl)methyl]-6-heptanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135816617
6-butylsulfonyl-2-[(3-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135575578
[(2R)-2-hydroxy-3-[2-[(3-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]propyl] butanoate
CID 135619306
6-(2-hydroxyhexyl)-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135956343
6-(4-methylbenzoyl)-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135482009
6-(2-fluorobenzoyl)-2-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622498

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135816603) is 2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)[C@@H](O)CN1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MVWCTKSIYWGQKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12(2)17(24)11-23-7-6-16-15(10-23)19(25)22-18(21-16)9-13-4-3-5-14(20)8-13/h3-5,8,12,17,24H,6-7,9-11H2,1-2H3,(H,21,22,25)/t17-/m0/s1.
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 345.42 g/mol, XLogP of 1.87, 5 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-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135816603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).