1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

C20H24N4O2 — CID 71836260

IUPAC1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Nc3ncnc4c3CCC4)C2)cc1
InChIInChI=1S/C20H24N4O2/c1-26-16-7-5-14(6-8-16)11-19(25)24-10-9-15(12-24)23-20-17-3-2-4-18(17)21-13-22-20/h5-8,13,15H,2-4,9-12H2,1H3,(H,21,22,23)
InChIKeyYMCGEKRAAFDZPN-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.23
Rot. Bonds5

About 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 71836260) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID71836260
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Nc3ncnc4c3CCC4)C2)cc1
InChIInChI=1S/C20H24N4O2/c1-26-16-7-5-14(6-8-16)11-19(25)24-10-9-15(12-24)23-20-17-3-2-4-18(17)21-13-22-20/h5-8,13,15H,2-4,9-12H2,1H3,(H,21,22,23)
InChIKeyYMCGEKRAAFDZPN-UHFFFAOYSA-N
XLogP2.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone 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 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 71836260) is 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC(Nc3ncnc4c3CCC4)C2)cc1.
What is the InChIKey of 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is YMCGEKRAAFDZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-16-7-5-14(6-8-16)11-19(25)24-10-9-15(12-24)23-20-17-3-2-4-18(17)21-13-22-20/h5-8,13,15H,2-4,9-12H2,1H3,(H,21,22,23).
What are the key properties of 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 352.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 71836260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).