2-methyl-1H-pyrimidin-6-one;hydrochloride

C5H7ClN2O — CID 119106306

IUPAC2-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nccc(=O)[nH]1.Cl
InChIInChI=1S/C5H6N2O.ClH/c1-4-6-3-2-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H
InChIKeySLLMNDJAFKFHDH-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.50
Rot. Bonds

About 2-methyl-1H-pyrimidin-6-one;hydrochloride

2-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 119106306) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 2-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID119106306
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name2-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nccc(=O)[nH]1.Cl
InChIInChI=1S/C5H6N2O.ClH/c1-4-6-3-2-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H
InChIKeySLLMNDJAFKFHDH-UHFFFAOYSA-N
XLogP0.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-methyl-1H-pyrimidin-6-one;hydrochloride (CID 119106306) is 2-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-methyl-1H-pyrimidin-6-one;hydrochloride is Cc1nccc(=O)[nH]1.Cl.
What is the InChIKey of 2-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is SLLMNDJAFKFHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.ClH/c1-4-6-3-2-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H.
What are the key properties of 2-methyl-1H-pyrimidin-6-one;hydrochloride?
2-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 119106306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).