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

C20H27N3O2 — CID 135593452

IUPAC6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C[C@@H](O)C(C)C)CC2
InChIInChI=1S/C20H27N3O2/c1-13(2)18(24)12-23-9-8-17-16(11-23)20(25)22-19(21-17)10-15-7-5-4-6-14(15)3/h4-7,13,18,24H,8-12H2,1-3H3,(H,21,22,25)/t18-/m1/s1
InChIKeyMARMEFVNRNCRPU-GOSISDBHSA-N
MW341.46 g/mol
LogP2.04
Rot. Bonds5

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

6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135593452) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135593452
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C[C@@H](O)C(C)C)CC2
InChIInChI=1S/C20H27N3O2/c1-13(2)18(24)12-23-9-8-17-16(11-23)20(25)22-19(21-17)10-15-7-5-4-6-14(15)3/h4-7,13,18,24H,8-12H2,1-3H3,(H,21,22,25)/t18-/m1/s1
InChIKeyMARMEFVNRNCRPU-GOSISDBHSA-N
XLogP2.04
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-hydroxyhexyl)-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135956343
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-methylbenzoyl)-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593704
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-(2-hydroxypropyl)-2-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135540683
6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619248
6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593482
N-(2,6-dimethylphenyl)-4-oxo-2-[[2-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135408869
6-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135532624
2-benzyl-6-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136813207
[(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

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135593452) is 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C[C@@H](O)C(C)C)CC2.
What is the InChIKey of 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MARMEFVNRNCRPU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13(2)18(24)12-23-9-8-17-16(11-23)20(25)22-19(21-17)10-15-7-5-4-6-14(15)3/h4-7,13,18,24H,8-12H2,1-3H3,(H,21,22,25)/t18-/m1/s1.
What are the key properties of 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 341.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-hydroxy-3-methylbutyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135593452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).