6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H22N4O2 — CID 135945140

About 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135945140) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135945140
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COc1ccncc1CN1CCc2nc(C(C)C)[nH]c(=O)c2C1
• InChI: InChI=1S/C17H22N4O2/c1-11(2)16-19-14-5-7-21(10-13(14)17(22)20-16)9-12-8-18-6-4-15(12)23-3/h4,6,8,11H,5,7,9-10H2,1-3H3,(H,19,20,22)
• InChIKey: WLUXCYWJGVKSBQ-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135945140) is 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccncc1CN1CCc2nc(C(C)C)[nH]c(=O)c2C1.

What is the InChIKey of 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is WLUXCYWJGVKSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)16-19-14-5-7-21(10-13(14)17(22)20-16)9-12-8-18-6-4-15(12)23-3/h4,6,8,11H,5,7,9-10H2,1-3H3,(H,19,20,22).

What are the key properties of 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 314.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135945140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).