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

C13H16N4OS — CID 135861454

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

2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861454) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135861454
• Molecular Formula: C13H16N4OS
• Molecular Weight: 276.36 g/mol
• Exact Mass: 276.10
• IUPAC Name: 2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1csc(CN2CCc3nc(C)[nH]c(=O)c3C2)n1
• InChI: InChI=1S/C13H16N4OS/c1-8-7-19-12(14-8)6-17-4-3-11-10(5-17)13(18)16-9(2)15-11/h7H,3-6H2,1-2H3,(H,15,16,18)
• InChIKey: LNZDRWGVDAMIEX-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.36
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861454) is 2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1csc(CN2CCc3nc(C)[nH]c(=O)c3C2)n1.

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

The InChIKey is LNZDRWGVDAMIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-7-19-12(14-8)6-17-4-3-11-10(5-17)13(18)16-9(2)15-11/h7H,3-6H2,1-2H3,(H,15,16,18).

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

2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 276.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).