6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H21N5O — CID 136886553

About 6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136886553) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136886553
• Molecular Formula: C20H21N5O
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.17
• IUPAC Name: 6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: C[C@@H](CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1)c1ccccc1
• InChI: InChI=1S/C20H21N5O/c1-14(15-5-3-2-4-6-15)12-25-10-7-17-16(13-25)20(26)24-19(23-17)18-11-21-8-9-22-18/h2-6,8-9,11,14H,7,10,12-13H2,1H3,(H,23,24,26)/t14-/m0/s1
• InChIKey: PTNBHISUDWAWEG-AWEZNQCLSA-N
• XLogP: 2.39
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136886553) is 6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is C[C@@H](CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1)c1ccccc1.

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

The InChIKey is PTNBHISUDWAWEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(15-5-3-2-4-6-15)12-25-10-7-17-16(13-25)20(26)24-19(23-17)18-11-21-8-9-22-18/h2-6,8-9,11,14H,7,10,12-13H2,1H3,(H,23,24,26)/t14-/m0/s1.

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

6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 347.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136886553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).