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

C14H16N2O3 — CID 116903041

IUPAC3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid
SMILESCc1ccc(-c2ccnc(C(C(=O)O)C(C)C)n2)o1
InChIInChI=1S/C14H16N2O3/c1-8(2)12(14(17)18)13-15-7-6-10(16-13)11-5-4-9(3)19-11/h4-8,12H,1-3H3,(H,17,18)
InChIKeyJHTSMOZRNFJQGL-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.87
Rot. Bonds4

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

3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid (PubChem CID 116903041) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid
PubChem CID116903041
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid
SMILESCc1ccc(-c2ccnc(C(C(=O)O)C(C)C)n2)o1
InChIInChI=1S/C14H16N2O3/c1-8(2)12(14(17)18)13-15-7-6-10(16-13)11-5-4-9(3)19-11/h4-8,12H,1-3H3,(H,17,18)
InChIKeyJHTSMOZRNFJQGL-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid
CID 116902136
2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanol
CID 116902206
[4-(5-methylfuran-2-yl)pyrimidin-2-yl]methanol
CID 116899503
2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-ol
CID 116902086
2-methoxy-4-(5-methylfuran-2-yl)pyrimidine
CID 116903833
methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate
CID 116901354
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
2-methyl-3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898293
3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899196
2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid
CID 116894252
N,5-dimethyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 26349683
4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
CID 116898890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid?
The IUPAC name of 3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid (CID 116903041) is 3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid?
The canonical SMILES for 3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid is Cc1ccc(-c2ccnc(C(C(=O)O)C(C)C)n2)o1.
What is the InChIKey of 3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid?
The InChIKey is JHTSMOZRNFJQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8(2)12(14(17)18)13-15-7-6-10(16-13)11-5-4-9(3)19-11/h4-8,12H,1-3H3,(H,17,18).
What are the key properties of 3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid?
3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]butanoic acid is sourced from PubChem (CID 116903041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).