1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one

C11H14N2O — CID 83858925

IUPAC1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1nc(C)nc2c1CCC2
InChIInChI=1S/C11H14N2O/c1-7(14)6-11-9-4-3-5-10(9)12-8(2)13-11/h3-6H2,1-2H3
InChIKeyGEAWKYMPLDUMIC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.41
Rot. Bonds2

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

1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one (PubChem CID 83858925) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one
PubChem CID83858925
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1nc(C)nc2c1CCC2
InChIInChI=1S/C11H14N2O/c1-7(14)6-11-9-4-3-5-10(9)12-8(2)13-11/h3-6H2,1-2H3
InChIKeyGEAWKYMPLDUMIC-UHFFFAOYSA-N
XLogP1.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one (CID 83858925) is 1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one is CC(=O)Cc1nc(C)nc2c1CCC2.
What is the InChIKey of 1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one?
The InChIKey is GEAWKYMPLDUMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(14)6-11-9-4-3-5-10(9)12-8(2)13-11/h3-6H2,1-2H3.
What are the key properties of 1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one?
1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 83858925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).