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

C15H22N4O2 — CID 71836253

IUPAC1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C15H22N4O2/c1-2-21-9-14(20)19-7-6-11(8-19)18-15-12-4-3-5-13(12)16-10-17-15/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeySMOJAMMPKDDCLI-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.01
Rot. Bonds5

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

1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone (PubChem CID 71836253) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone
PubChem CID71836253
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C15H22N4O2/c1-2-21-9-14(20)19-7-6-11(8-19)18-15-12-4-3-5-13(12)16-10-17-15/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeySMOJAMMPKDDCLI-UHFFFAOYSA-N
XLogP1.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone (CID 71836253) is 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCC(Nc2ncnc3c2CCC3)C1.
What is the InChIKey of 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone?
The InChIKey is SMOJAMMPKDDCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-21-9-14(20)19-7-6-11(8-19)18-15-12-4-3-5-13(12)16-10-17-15/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone?
1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-2-ethoxyethanone has a molecular weight of 290.37 g/mol, XLogP of 1.01, 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-ethoxyethanone is sourced from PubChem (CID 71836253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).