2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid

C14H16N2O3 — CID 116894252

IUPAC2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid
SMILESCc1cc(-c2ccc(C)o2)nc(CC(C)C(=O)O)n1
InChIInChI=1S/C14H16N2O3/c1-8(14(17)18)6-13-15-9(2)7-11(16-13)12-5-4-10(3)19-12/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyOIIVGWHRROQICU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid

2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid (PubChem CID 116894252) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid
PubChem CID116894252
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid
SMILESCc1cc(-c2ccc(C)o2)nc(CC(C)C(=O)O)n1
InChIInChI=1S/C14H16N2O3/c1-8(14(17)18)6-13-15-9(2)7-11(16-13)12-5-4-10(3)19-12/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyOIIVGWHRROQICU-UHFFFAOYSA-N
XLogP2.62
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116893719
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine
CID 116892451
2-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116892858
2-methyl-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 116900020
2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116897330
methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
CID 116895233
3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 105483713
4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine
CID 70659256
2-methyl-3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898293
2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3578967
3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid
CID 116903041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid (CID 116894252) is 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid is Cc1cc(-c2ccc(C)o2)nc(CC(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid?
The InChIKey is OIIVGWHRROQICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8(14(17)18)6-13-15-9(2)7-11(16-13)12-5-4-10(3)19-12/h4-5,7-8H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid?
2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid is sourced from PubChem (CID 116894252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).