6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C17H17N5S — CID 24913890

About 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 24913890) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• PubChem CID: 24913890
• Molecular Formula: C17H17N5S
• Molecular Weight: 323.43 g/mol
• Exact Mass: 323.12
• IUPAC Name: 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• SMILES: Nc1ncc2c(n1)CCN(Cc1ccc(-c3ccsc3)nc1)C2
• InChI: InChI=1S/C17H17N5S/c18-17-20-8-14-10-22(5-3-16(14)21-17)9-12-1-2-15(19-7-12)13-4-6-23-11-13/h1-2,4,6-8,11H,3,5,9-10H2,(H2,18,20,21)
• InChIKey: JTFJDQZIQSKVNX-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 67.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.43
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The IUPAC name of 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 24913890) is 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

What is the SMILES notation for 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The canonical SMILES for 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Nc1ncc2c(n1)CCN(Cc1ccc(-c3ccsc3)nc1)C2.

What is the InChIKey of 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The InChIKey is JTFJDQZIQSKVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c18-17-20-8-14-10-22(5-3-16(14)21-17)9-12-1-2-15(19-7-12)13-4-6-23-11-13/h1-2,4,6-8,11H,3,5,9-10H2,(H2,18,20,21).

What are the key properties of 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 323.43 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 24913890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).