1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

C17H24N4O — CID 53192890

IUPAC1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C17H24N4O/c22-15-6-2-10-21(15)11-3-9-18-17-13-4-1-5-14(13)19-16(20-17)12-7-8-12/h12H,1-11H2,(H,18,19,20)
InChIKeyZOHZKIILJAILSK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.27
Rot. Bonds6

About 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 53192890) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID53192890
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C17H24N4O/c22-15-6-2-10-21(15)11-3-9-18-17-13-4-1-5-14(13)19-16(20-17)12-7-8-12/h12H,1-11H2,(H,18,19,20)
InChIKeyZOHZKIILJAILSK-UHFFFAOYSA-N
XLogP2.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 53192890) is 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1nc(C2CC2)nc2c1CCC2.
What is the InChIKey of 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is ZOHZKIILJAILSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-15-6-2-10-21(15)11-3-9-18-17-13-4-1-5-14(13)19-16(20-17)12-7-8-12/h12H,1-11H2,(H,18,19,20).
What are the key properties of 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 300.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 53192890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).