1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

C9H12N2O — CID 58719909

IUPAC1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESCc1nc(=O)n(C)c2c1CCC2
InChIInChI=1S/C9H12N2O/c1-6-7-4-3-5-8(7)11(2)9(12)10-6/h3-5H2,1-2H3
InChIKeyIESNQRLHUWFOQK-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.58
Rot. Bonds

About 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 58719909) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID58719909
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESCc1nc(=O)n(C)c2c1CCC2
InChIInChI=1S/C9H12N2O/c1-6-7-4-3-5-8(7)11(2)9(12)10-6/h3-5H2,1-2H3
InChIKeyIESNQRLHUWFOQK-UHFFFAOYSA-N
XLogP0.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134536380
1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione
CID 102513259
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ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 169136046
4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
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tris(3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one);iron(3+)
CID 71468617
4-methyl-9-oxo-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 58719909) is 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is Cc1nc(=O)n(C)c2c1CCC2.
What is the InChIKey of 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is IESNQRLHUWFOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-7-4-3-5-8(7)11(2)9(12)10-6/h3-5H2,1-2H3.
What are the key properties of 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 58719909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).