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

C17H17N7 — CID 24913513

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

5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine (PubChem CID 24913513) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine
• PubChem CID: 24913513
• Molecular Formula: C17H17N7
• Molecular Weight: 319.37 g/mol
• Exact Mass: 319.15
• IUPAC Name: 5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine
• SMILES: Nc1ncc(CN2CCc3nc(-c4ccncc4)ncc3C2)cn1
• InChI: InChI=1S/C17H17N7/c18-17-21-7-12(8-22-17)10-24-6-3-15-14(11-24)9-20-16(23-15)13-1-4-19-5-2-13/h1-2,4-5,7-9H,3,6,10-11H2,(H2,18,21,22)
• InChIKey: IVBWXRJAQALTQE-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 93.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine (CID 24913513) is 5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine.

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

The canonical SMILES for 5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine is Nc1ncc(CN2CCc3nc(-c4ccncc4)ncc3C2)cn1.

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

The InChIKey is IVBWXRJAQALTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c18-17-21-7-12(8-22-17)10-24-6-3-15-14(11-24)9-20-16(23-15)13-1-4-19-5-2-13/h1-2,4-5,7-9H,3,6,10-11H2,(H2,18,21,22).

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

5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine has a molecular weight of 319.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 24913513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).