2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H23N7 — CID 24915304

About 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915304) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915304
• Molecular Formula: C21H23N7
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.20
• IUPAC Name: 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1ncc(-c2ncc3c(n2)CCN(Cc2ccc(N4CCCC4)nc2)C3)cn1
• InChI: InChI=1S/C21H23N7/c1-2-7-28(6-1)20-4-3-16(9-24-20)13-27-8-5-19-18(14-27)12-25-21(26-19)17-10-22-15-23-11-17/h3-4,9-12,15H,1-2,5-8,13-14H2
• InChIKey: IMQYNCBHZRPTRE-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 70.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915304) is 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ncc(-c2ncc3c(n2)CCN(Cc2ccc(N4CCCC4)nc2)C3)cn1.

What is the InChIKey of 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is IMQYNCBHZRPTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-2-7-28(6-1)20-4-3-16(9-24-20)13-27-8-5-19-18(14-27)12-25-21(26-19)17-10-22-15-23-11-17/h3-4,9-12,15H,1-2,5-8,13-14H2.

What are the key properties of 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).