2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone

C17H24N4O — CID 53192901

IUPAC2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C17H24N4O/c1-20(11-15(22)21-9-2-3-10-21)17-13-5-4-6-14(13)18-16(19-17)12-7-8-12/h12H,2-11H2,1H3
InChIKeyBBIAVVBRAMQUMN-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.90
Rot. Bonds4

About 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone

2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 53192901) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID53192901
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C17H24N4O/c1-20(11-15(22)21-9-2-3-10-21)17-13-5-4-6-14(13)18-16(19-17)12-7-8-12/h12H,2-11H2,1H3
InChIKeyBBIAVVBRAMQUMN-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone (CID 53192901) is 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1nc(C2CC2)nc2c1CCC2.
What is the InChIKey of 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is BBIAVVBRAMQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20(11-15(22)21-9-2-3-10-21)17-13-5-4-6-14(13)18-16(19-17)12-7-8-12/h12H,2-11H2,1H3.
What are the key properties of 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 300.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53192901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).