2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid

C10H14N2O3 — CID 83852236

IUPAC2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESCC(C)Cc1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)3-7-4-8(5-9(13)14)12-10(15)11-7/h4,6H,3,5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeySGKARMBGZPUACD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.60
Rot. Bonds4

About 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid

2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid (PubChem CID 83852236) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
PubChem CID83852236
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESCC(C)Cc1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)3-7-4-8(5-9(13)14)12-10(15)11-7/h4,6H,3,5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeySGKARMBGZPUACD-UHFFFAOYSA-N
XLogP0.60
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 84677639
2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid
CID 105448907
5-(2-methylpropyl)-2H-1,2,4-triazin-3-one
CID 105429895
2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid
CID 84733610
2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
CID 57437203
6-ethyl-4-propan-2-yl-1H-pyrimidin-2-one
CID 130056096
N-(3-aminopropyl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 90647366
1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
CID 116895408
2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid
CID 96607376
N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 91773250
4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one
CID 82412906
N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
CID 46989159

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid (CID 83852236) is 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid is CC(C)Cc1cc(CC(=O)O)[nH]c(=O)n1.
What is the InChIKey of 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The InChIKey is SGKARMBGZPUACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)3-7-4-8(5-9(13)14)12-10(15)11-7/h4,6H,3,5H2,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 83852236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).