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

C20H27N3O2 — CID 135593482

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

6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135593482) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135593482
• Molecular Formula: C20H27N3O2
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.21
• IUPAC Name: 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CCC[C@@H](O)CN1CCc2nc(Cc3cccc(C)c3)[nH]c(=O)c2C1
• InChI: InChI=1S/C20H27N3O2/c1-3-5-16(24)12-23-9-8-18-17(13-23)20(25)22-19(21-18)11-15-7-4-6-14(2)10-15/h4,6-7,10,16,24H,3,5,8-9,11-13H2,1-2H3,(H,21,22,25)/t16-/m1/s1
• InChIKey: ALJQBPAXKXLGBU-MRXNPFEDSA-N
• XLogP: 2.19
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135593482) is 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCC[C@@H](O)CN1CCc2nc(Cc3cccc(C)c3)[nH]c(=O)c2C1.

What is the InChIKey of 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is ALJQBPAXKXLGBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-5-16(24)12-23-9-8-18-17(13-23)20(25)22-19(21-18)11-15-7-4-6-14(2)10-15/h4,6-7,10,16,24H,3,5,8-9,11-13H2,1-2H3,(H,21,22,25)/t16-/m1/s1.

What are the key properties of 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 341.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-hydroxypentyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135593482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).