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

C8H13ClN2O2 — CID 663808

IUPAChydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride
SMILESCc1cc(C)n(CCO)c(=O)n1.[Cl-].[H+]
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
LogP-3.03
Rot. Bonds2

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

hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride (PubChem CID 663808) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride.

Molecular Properties

Compound Namehydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride
PubChem CID663808
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Namehydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride
SMILESCc1cc(C)n(CCO)c(=O)n1.[Cl-].[H+]
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
XLogP-3.03
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 ≤ 5-3.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxyethyl)-4,6-dimethyl-2(1H)-pyrimidinone
CID 121931
1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2(1H)-one hydrochloride
CID 6603213
2-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)acetic acid hydrochloride
CID 44667857
1-(beta-Hydroxyethyl)-4,6-dimethyl-1,2-dihydro-2-hydroxypyrimidine
CID 69174303
3-(2-Hydroxyethyl)-1,4,6-trimethyl-2-oxo-2,3-dihydropyrimidinium iodide
CID 15787712
1-(3-Hydroxypropyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509825
1-(4-Hydroxybutyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509827
1-(2-Hydroxyethyl)-6-methyl-2-oxopyrimidine
CID 73856022
1-(2-Methoxyethyl)-4,6-dimethyl-2-oxopyrimidine
CID 175647239
1-(2-Hydroxyethyl)-4,5,6-trimethyl-2-oxopyrimidine
CID 175647241
4,6-Diethyl-1-(2-hydroxyethyl)-2-oxopyrimidine
CID 175647249
1-{2-[(2-Hydroxyethyl)amino]ethyl}-4,6-dimethyl-2oxopyrimidine
CID 175647252

Frequently Asked Questions

What is the IUPAC name of hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride?
The IUPAC name of hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride (CID 663808) is hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride.
What is the SMILES notation for hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride?
The canonical SMILES for hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride is Cc1cc(C)n(CCO)c(=O)n1.[Cl-].[H+].
What is the InChIKey of hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride?
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 hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride?
hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride has a molecular weight of 204.66 g/mol, XLogP of -3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride is sourced from PubChem (CID 663808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).