1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride

C8H12ClN2O2- — CID 53346709

IUPAC1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride
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/p-1
InChIKeyGGKYJCIZGRQFNI-UHFFFAOYSA-M
MW203.65 g/mol
LogP-3.14
Rot. Bonds2

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

1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride (PubChem CID 53346709) has the molecular formula C8H12ClN2O2- and a molecular weight of 203.65 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride
PubChem CID53346709
Molecular FormulaC8H12ClN2O2-
Molecular Weight203.65 g/mol
Exact Mass203.06
IUPAC Name1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride
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/p-1
InChIKeyGGKYJCIZGRQFNI-UHFFFAOYSA-M
XLogP-3.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 5-3.14
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 chloride?
The IUPAC name of 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride (CID 53346709) is 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride.
What is the SMILES notation for 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride?
The canonical SMILES for 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride is Cc1cc(C)n(CCO)c(=O)n1.[Cl-].
What is the InChIKey of 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride?
The InChIKey is GGKYJCIZGRQFNI-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride?
1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride has a molecular weight of 203.65 g/mol, XLogP of -3.14, 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 chloride is sourced from PubChem (CID 53346709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).