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

C20H22N4O2 — CID 137072362

IUPAC2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1N(C)C1CCCC1
InChIInChI=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)
InChIKeyHYPRCRUIJAIOAP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.80
Rot. Bonds4

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 Name2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137072362
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1N(C)C1CCCC1
InChIInChI=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)
InChIKeyHYPRCRUIJAIOAP-UHFFFAOYSA-N
XLogP3.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).