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

C14H16N2O3 — CID 104806262

IUPAC3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1ccoc1-c1nc(C)c(CCC(=O)O)c(C)n1
InChIInChI=1S/C14H16N2O3/c1-8-6-7-19-13(8)14-15-9(2)11(10(3)16-14)4-5-12(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyUFKITOPZPWQBNO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.68
Rot. Bonds4

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

3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid (PubChem CID 104806262) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid
PubChem CID104806262
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1ccoc1-c1nc(C)c(CCC(=O)O)c(C)n1
InChIInChI=1S/C14H16N2O3/c1-8-6-7-19-13(8)14-15-9(2)11(10(3)16-14)4-5-12(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyUFKITOPZPWQBNO-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 104807289
6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid
CID 104807222
5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 104806638
ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 104798232
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid
CID 61269964
3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid
CID 65328486
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 104798239
9-(3-methylfuran-2-yl)nonanoic acid
CID 18795097
3,3-dimethyl-1-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 113455522
3-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 79197591
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 104807574

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid (CID 104806262) is 3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid is Cc1ccoc1-c1nc(C)c(CCC(=O)O)c(C)n1.
What is the InChIKey of 3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid?
The InChIKey is UFKITOPZPWQBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-6-7-19-13(8)14-15-9(2)11(10(3)16-14)4-5-12(17)18/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid?
3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 104806262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).