1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride

C8H13ClN2O2 — CID 6603213

IUPAC1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCc1cc(C)n(CCO)c(=O)n1.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-6-5-7(2)10(3-4-11)8(12)9-6;/h5,11H,3-4H2,1-2H3;1H
InChIKeyGGKYJCIZGRQFNI-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.27
Rot. Bonds2

About 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride

1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride (PubChem CID 6603213) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
PubChem CID6603213
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCc1cc(C)n(CCO)c(=O)n1.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-6-5-7(2)10(3-4-11)8(12)9-6;/h5,11H,3-4H2,1-2H3;1H
InChIKeyGGKYJCIZGRQFNI-UHFFFAOYSA-N
XLogP0.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride?
The IUPAC name of 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride (CID 6603213) is 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride is Cc1cc(C)n(CCO)c(=O)n1.Cl.
What is the InChIKey of 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride?
The InChIKey is GGKYJCIZGRQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c1-6-5-7(2)10(3-4-11)8(12)9-6;/h5,11H,3-4H2,1-2H3;1H.
What are the key properties of 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride?
1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;hydrochloride is sourced from PubChem (CID 6603213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).