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

C18H26N4O — CID 71836250

IUPAC2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C18H26N4O/c23-17(10-13-4-1-2-5-13)22-9-8-14(11-22)21-18-15-6-3-7-16(15)19-12-20-18/h12-14H,1-11H2,(H,19,20,21)
InChIKeyOWEAKXFCKKFSPO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.56
Rot. Bonds4

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

2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone (PubChem CID 71836250) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone
PubChem CID71836250
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C18H26N4O/c23-17(10-13-4-1-2-5-13)22-9-8-14(11-22)21-18-15-6-3-7-16(15)19-12-20-18/h12-14H,1-11H2,(H,19,20,21)
InChIKeyOWEAKXFCKKFSPO-UHFFFAOYSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 71933051
N-{rel-(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3-pyrrolidinyl}-3-methoxypropanamide hydrochloride
CID 72861577
2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 72904999
2-Cyclopentyl-1-[4-(propan-2-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 97516511
1-{5H,6H,7H-Cyclopenta[D]pyrimidin-4-YL}piperidine-4-carboxamide
CID 53192847
1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 53192890
1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone
CID 71836253
N-[1-(6,7-Dihydro-5H-cyclopenta[D]pyrimidin-4-YL)tetrahydro-1H-pyrrol-3-YL]-2-ethoxyacetamide
CID 71836310
(4R)-1-cyclopentyl-4-[(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)methyl]pyrrolidin-2-one
CID 95874675
N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide
CID 96080650
(1S,2S,4S)-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 164629347
(2S)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(6R)-6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 144453086

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone (CID 71836250) is 2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(Nc2ncnc3c2CCC3)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is OWEAKXFCKKFSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c23-17(10-13-4-1-2-5-13)22-9-8-14(11-22)21-18-15-6-3-7-16(15)19-12-20-18/h12-14H,1-11H2,(H,19,20,21).
What are the key properties of 2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 314.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 71836250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).