2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride

C10H15ClN2O2 — CID 126796283

IUPAC2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride
SMILESCCc1nc(C)c(CC(=O)O)c(C)n1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-4-9-11-6(2)8(5-10(13)14)7(3)12-9;/h4-5H2,1-3H3,(H,13,14);1H
InChIKeyKEICPJRWSJBIDC-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.70
Rot. Bonds3

About 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride

2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride (PubChem CID 126796283) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride
PubChem CID126796283
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride
SMILESCCc1nc(C)c(CC(=O)O)c(C)n1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-4-9-11-6(2)8(5-10(13)14)7(3)12-9;/h4-5H2,1-3H3,(H,13,14);1H
InChIKeyKEICPJRWSJBIDC-UHFFFAOYSA-N
XLogP1.70
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 18983895
Ethyl (4-Chloro-2-methyl-6-trifluoromethylpyrimidin-5-yl)acetate
CID 19876782
2-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 53926251
2-[4,6-Di(propan-2-yl)-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 137443534
2-[4,6-Dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 174589890
2-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate
CID 18983894
2-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 55062883
2-(2-Ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid
CID 61269025
2-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 61392786
2-[4,6-Diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 79218266
2-[4,6-Dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79964066
2-[4,6-Dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 79964411

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride (CID 126796283) is 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride is CCc1nc(C)c(CC(=O)O)c(C)n1.Cl.
What is the InChIKey of 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride?
The InChIKey is KEICPJRWSJBIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-4-9-11-6(2)8(5-10(13)14)7(3)12-9;/h4-5H2,1-3H3,(H,13,14);1H.
What are the key properties of 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride?
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride is sourced from PubChem (CID 126796283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).