1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride

C8H11ClN2O2 — CID 90200634

IUPAC1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride
SMILESCc1nc(=O)n(O)c2c1CCC2.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-5-6-3-2-4-7(6)10(12)8(11)9-5;/h12H,2-4H2,1H3;1H
InChIKeyWHSPVVJCDSTHNW-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.70
Rot. Bonds

About 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride

1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride (PubChem CID 90200634) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride
PubChem CID90200634
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride
SMILESCc1nc(=O)n(O)c2c1CCC2.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-5-6-3-2-4-7(6)10(12)8(11)9-5;/h12H,2-4H2,1H3;1H
InChIKeyWHSPVVJCDSTHNW-UHFFFAOYSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride 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 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride?
The IUPAC name of 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride (CID 90200634) is 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride is Cc1nc(=O)n(O)c2c1CCC2.Cl.
What is the InChIKey of 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride?
The InChIKey is WHSPVVJCDSTHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-5-6-3-2-4-7(6)10(12)8(11)9-5;/h12H,2-4H2,1H3;1H.
What are the key properties of 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride?
1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 90200634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).