2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one

C20H22N4O2 — CID 137072362

About 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137072362) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 137072362
• Molecular Formula: C20H22N4O2
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.17
• IUPAC Name: 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
• SMILES: Cc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1N(C)C1CCCC1
• InChI: InChI=1S/C20H22N4O2/c1-13-11-15(7-8-18(13)24(2)14-5-3-4-6-14)26-20-22-17-12-21-10-9-16(17)19(25)23-20/h7-12,14H,3-6H2,1-2H3,(H,22,23,25)
• InChIKey: HYPRCRUIJAIOAP-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137072362) is 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is Cc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1N(C)C1CCCC1.

What is the InChIKey of 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?

The InChIKey is HYPRCRUIJAIOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-11-15(7-8-18(13)24(2)14-5-3-4-6-14)26-20-22-17-12-21-10-9-16(17)19(25)23-20/h7-12,14H,3-6H2,1-2H3,(H,22,23,25).

What are the key properties of 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?

2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137072362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).