6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H25N3O2 — CID 135619248

IUPAC6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC[C@@H](O)CN1CCc2nc(Cc3cccc(C)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H25N3O2/c1-3-15(23)11-22-8-7-17-16(12-22)19(24)21-18(20-17)10-14-6-4-5-13(2)9-14/h4-6,9,15,23H,3,7-8,10-12H2,1-2H3,(H,20,21,24)/t15-/m1/s1
InChIKeyMZDUFQMQANHOFH-OAHLLOKOSA-N
MW327.43 g/mol
LogP1.80
Rot. Bonds5

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

6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135619248) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135619248
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC[C@@H](O)CN1CCc2nc(Cc3cccc(C)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H25N3O2/c1-3-15(23)11-22-8-7-17-16(12-22)19(24)21-18(20-17)10-14-6-4-5-13(2)9-14/h4-6,9,15,23H,3,7-8,10-12H2,1-2H3,(H,20,21,24)/t15-/m1/s1
InChIKeyMZDUFQMQANHOFH-OAHLLOKOSA-N
XLogP1.80
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593482
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
2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135816603
6-(2-hydroxypropyl)-2-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135540683
[(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-(4-methylbenzoyl)-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135482009
6-(2-hydroxyhexyl)-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135956343
6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593452
2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136924665
N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135622631
N-(3-chlorophenyl)-2-[(3-methylphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135772116

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135619248) is 6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC[C@@H](O)CN1CCc2nc(Cc3cccc(C)c3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MZDUFQMQANHOFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-15(23)11-22-8-7-17-16(12-22)19(24)21-18(20-17)10-14-6-4-5-13(2)9-14/h4-6,9,15,23H,3,7-8,10-12H2,1-2H3,(H,20,21,24)/t15-/m1/s1.
What are the key properties of 6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 327.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135619248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).