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

C21H28N4O — CID 24917202

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

6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917202) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24917202
• Molecular Formula: C21H28N4O
• Molecular Weight: 352.48 g/mol
• Exact Mass: 352.23
• IUPAC Name: 6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CC(C)c1ncc2c(n1)CCN(Cc1cccnc1OC1CCCC1)C2
• InChI: InChI=1S/C21H28N4O/c1-15(2)20-23-12-17-14-25(11-9-19(17)24-20)13-16-6-5-10-22-21(16)26-18-7-3-4-8-18/h5-6,10,12,15,18H,3-4,7-9,11,13-14H2,1-2H3
• InChIKey: BSDSQCFXPMDZOH-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 51.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.48
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917202) is 6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)c1ncc2c(n1)CCN(Cc1cccnc1OC1CCCC1)C2.

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

The InChIKey is BSDSQCFXPMDZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(2)20-23-12-17-14-25(11-9-19(17)24-20)13-16-6-5-10-22-21(16)26-18-7-3-4-8-18/h5-6,10,12,15,18H,3-4,7-9,11,13-14H2,1-2H3.

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

6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 352.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).