4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid

C11H10N2O3 — CID 116894066

IUPAC4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccc(C)o2)nc(C(=O)O)n1
InChIInChI=1S/C11H10N2O3/c1-6-5-8(9-4-3-7(2)16-9)13-10(12-6)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyBNZKYTBLHZQSSC-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.05
Rot. Bonds2

About 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid

4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid (PubChem CID 116894066) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
PubChem CID116894066
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccc(C)o2)nc(C(=O)O)n1
InChIInChI=1S/C11H10N2O3/c1-6-5-8(9-4-3-7(2)16-9)13-10(12-6)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyBNZKYTBLHZQSSC-UHFFFAOYSA-N
XLogP2.05
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
CID 116895233
2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid
CID 116894252
2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116897330
2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116893719
lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride
CID 173024484
N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine
CID 116892451
2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3578967
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
2-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116892858
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
2-(5-methylfuran-2-yl)-1,3-benzothiazole-5-carboxylic acid
CID 12060395
2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid
CID 116902136

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid (CID 116894066) is 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid is Cc1cc(-c2ccc(C)o2)nc(C(=O)O)n1.
What is the InChIKey of 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid?
The InChIKey is BNZKYTBLHZQSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-5-8(9-4-3-7(2)16-9)13-10(12-6)11(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid?
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 116894066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).