6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C15H15N5S — CID 24908677

About 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908677) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24908677
• Molecular Formula: C15H15N5S
• Molecular Weight: 297.39 g/mol
• Exact Mass: 297.10
• IUPAC Name: 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1csc(-c2ncc3c(n2)CCN(Cc2ncc[nH]2)C3)c1
• InChI: InChI=1S/C15H15N5S/c1-2-13(21-7-1)15-18-8-11-9-20(6-3-12(11)19-15)10-14-16-4-5-17-14/h1-2,4-5,7-8H,3,6,9-10H2,(H,16,17)
• InChIKey: IGCWWMLDVMPYHT-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.39
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908677) is 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1csc(-c2ncc3c(n2)CCN(Cc2ncc[nH]2)C3)c1.

What is the InChIKey of 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is IGCWWMLDVMPYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-2-13(21-7-1)15-18-8-11-9-20(6-3-12(11)19-15)10-14-16-4-5-17-14/h1-2,4-5,7-8H,3,6,9-10H2,(H,16,17).

What are the key properties of 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 297.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).