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

C10H15ClN2O3 — CID 18593179

IUPAC4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride
SMILESCc1cc(C)n(CCCC(=O)O)c(=O)n1.Cl
InChIInChI=1S/C10H14N2O3.ClH/c1-7-6-8(2)12(10(15)11-7)5-3-4-9(13)14;/h6H,3-5H2,1-2H3,(H,13,14);1H
InChIKeyLZWZZXOJJGXSDV-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.15
Rot. Bonds4

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

4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride (PubChem CID 18593179) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride
PubChem CID18593179
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride
SMILESCc1cc(C)n(CCCC(=O)O)c(=O)n1.Cl
InChIInChI=1S/C10H14N2O3.ClH/c1-7-6-8(2)12(10(15)11-7)5-3-4-9(13)14;/h6H,3-5H2,1-2H3,(H,13,14);1H
InChIKeyLZWZZXOJJGXSDV-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
4-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)butanoic acid
CID 6498495
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
4-(4,6-dimethyl-2-oxo-1H-pyrimidin-3-ium-3-yl)butanoic acid
CID 52953955
4-(4-Methyl-2-oxopyrimidin-1-yl)butanoic acid
CID 58823780
6-(4,6-Dimethyl-2-oxo-1(2H)-pyrimidinyl)hexanoic acid
CID 6611232
4-(4,6-Dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 7442666
5-(4,6-Dimethyl-2-oxopyrimidin-1-yl)pentanoic acid
CID 28971807
Methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 43378321
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
4-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylbutanoic acid
CID 65248075
4-(5-Bromo-4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid
CID 81694969

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride?
The IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride (CID 18593179) is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride is Cc1cc(C)n(CCCC(=O)O)c(=O)n1.Cl.
What is the InChIKey of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride?
The InChIKey is LZWZZXOJJGXSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.ClH/c1-7-6-8(2)12(10(15)11-7)5-3-4-9(13)14;/h6H,3-5H2,1-2H3,(H,13,14);1H.
What are the key properties of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride?
4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride has a molecular weight of 246.69 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 18593179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).