2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride

C6H9ClN2O — CID 70283115

IUPAC2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1ncc(C)c(=O)[nH]1.Cl
InChIInChI=1S/C6H8N2O.ClH/c1-4-3-7-5(2)8-6(4)9;/h3H,1-2H3,(H,7,8,9);1H
InChIKeyFEPLQXPWUOVXRC-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.81
Rot. Bonds

About 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride

2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 70283115) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID70283115
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1ncc(C)c(=O)[nH]1.Cl
InChIInChI=1S/C6H8N2O.ClH/c1-4-3-7-5(2)8-6(4)9;/h3H,1-2H3,(H,7,8,9);1H
InChIKeyFEPLQXPWUOVXRC-UHFFFAOYSA-N
XLogP0.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride (CID 70283115) is 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride is Cc1ncc(C)c(=O)[nH]1.Cl.
What is the InChIKey of 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is FEPLQXPWUOVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c1-4-3-7-5(2)8-6(4)9;/h3H,1-2H3,(H,7,8,9);1H.
What are the key properties of 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride?
2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 70283115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).