1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one

C18H20N4O — CID 136523319

IUPAC1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(Nc2ncnc3c2CCC3)cc1
InChIInChI=1S/C18H20N4O/c23-17-5-2-10-22(17)11-13-6-8-14(9-7-13)21-18-15-3-1-4-16(15)19-12-20-18/h6-9,12H,1-5,10-11H2,(H,19,20,21)
InChIKeyAVIFFNOTXDPRSW-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.83
Rot. Bonds4

About 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one

1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one (PubChem CID 136523319) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one
PubChem CID136523319
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(Nc2ncnc3c2CCC3)cc1
InChIInChI=1S/C18H20N4O/c23-17-5-2-10-22(17)11-13-6-8-14(9-7-13)21-18-15-3-1-4-16(15)19-12-20-18/h6-9,12H,1-5,10-11H2,(H,19,20,21)
InChIKeyAVIFFNOTXDPRSW-UHFFFAOYSA-N
XLogP2.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one (CID 136523319) is 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(Nc2ncnc3c2CCC3)cc1.
What is the InChIKey of 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is AVIFFNOTXDPRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-17-5-2-10-22(17)11-13-6-8-14(9-7-13)21-18-15-3-1-4-16(15)19-12-20-18/h6-9,12H,1-5,10-11H2,(H,19,20,21).
What are the key properties of 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one?
1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 136523319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).