6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H21N5O — CID 135862592

About 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862592) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135862592
• Molecular Formula: C15H21N5O
• Molecular Weight: 287.37 g/mol
• Exact Mass: 287.17
• IUPAC Name: 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1[nH]cnc1CN1CCc2nc(C(C)C)[nH]c(=O)c2C1
• InChI: InChI=1S/C15H21N5O/c1-9(2)14-18-12-4-5-20(6-11(12)15(21)19-14)7-13-10(3)16-8-17-13/h8-9H,4-7H2,1-3H3,(H,16,17)(H,18,19,21)
• InChIKey: AUTOPBJIQMRMCU-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.37
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862592) is 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1[nH]cnc1CN1CCc2nc(C(C)C)[nH]c(=O)c2C1.

What is the InChIKey of 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is AUTOPBJIQMRMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(2)14-18-12-4-5-20(6-11(12)15(21)19-14)7-13-10(3)16-8-17-13/h8-9H,4-7H2,1-3H3,(H,16,17)(H,18,19,21).

What are the key properties of 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 287.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).