4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one

C12H16N2O — CID 83858928

IUPAC4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one
SMILESCC(=O)CCc1nc(C)nc2c1CCC2
InChIInChI=1S/C12H16N2O/c1-8(15)6-7-12-10-4-3-5-11(10)13-9(2)14-12/h3-7H2,1-2H3
InChIKeyRXNGKJBXYFSOKU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.80
Rot. Bonds3

About 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one

4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one (PubChem CID 83858928) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one
PubChem CID83858928
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one
SMILESCC(=O)CCc1nc(C)nc2c1CCC2
InChIInChI=1S/C12H16N2O/c1-8(15)6-7-12-10-4-3-5-11(10)13-9(2)14-12/h3-7H2,1-2H3
InChIKeyRXNGKJBXYFSOKU-UHFFFAOYSA-N
XLogP1.80
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one (CID 83858928) is 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one is CC(=O)CCc1nc(C)nc2c1CCC2.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one?
The InChIKey is RXNGKJBXYFSOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(15)6-7-12-10-4-3-5-11(10)13-9(2)14-12/h3-7H2,1-2H3.
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one?
4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one is sourced from PubChem (CID 83858928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).