N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

C20H22N4O — CID 110432373

IUPACN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1C1(CNc2ncnc3ncccc23)CCCC1
InChIInChI=1S/C20H22N4O/c1-25-17-9-3-2-8-16(17)20(10-4-5-11-20)13-22-19-15-7-6-12-21-18(15)23-14-24-19/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,21,22,23,24)
InChIKeyVITDESKUIRMLEL-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.96
Rot. Bonds5

About N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 110432373) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID110432373
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1C1(CNc2ncnc3ncccc23)CCCC1
InChIInChI=1S/C20H22N4O/c1-25-17-9-3-2-8-16(17)20(10-4-5-11-20)13-22-19-15-7-6-12-21-18(15)23-14-24-19/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,21,22,23,24)
InChIKeyVITDESKUIRMLEL-UHFFFAOYSA-N
XLogP3.96
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 110432373) is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is COc1ccccc1C1(CNc2ncnc3ncccc23)CCCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is VITDESKUIRMLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-17-9-3-2-8-16(17)20(10-4-5-11-20)13-22-19-15-7-6-12-21-18(15)23-14-24-19/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,21,22,23,24).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110432373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).