2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride

C8H11ClN2O3 — CID 44667857

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride
SMILESCc1cc(C)n(CC(=O)O)c(=O)n1.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-5-3-6(2)10(4-7(11)12)8(13)9-5;/h3H,4H2,1-2H3,(H,11,12);1H
InChIKeyRBQZRNSVTXATNR-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.37
Rot. Bonds2

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride (PubChem CID 44667857) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride
PubChem CID44667857
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride
SMILESCc1cc(C)n(CC(=O)O)c(=O)n1.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-5-3-6(2)10(4-7(11)12)8(13)9-5;/h3H,4H2,1-2H3,(H,11,12);1H
InChIKeyRBQZRNSVTXATNR-UHFFFAOYSA-N
XLogP0.37
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride (CID 44667857) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride is Cc1cc(C)n(CC(=O)O)c(=O)n1.Cl.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride?
The InChIKey is RBQZRNSVTXATNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.ClH/c1-5-3-6(2)10(4-7(11)12)8(13)9-5;/h3H,4H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride has a molecular weight of 218.64 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 44667857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).