6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid

C11H10N2O3 — CID 104807222

IUPAC6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2occc2C)n1
InChIInChI=1S/C11H10N2O3/c1-6-3-4-16-9(6)10-12-7(2)5-8(13-10)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyMLOGDPOMNFCXGV-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.05
Rot. Bonds2

About 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid

6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid (PubChem CID 104807222) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid
PubChem CID104807222
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2occc2C)n1
InChIInChI=1S/C11H10N2O3/c1-6-3-4-16-9(6)10-12-7(2)5-8(13-10)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyMLOGDPOMNFCXGV-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

6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 63839625
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62745549
2-(3,4-dihydroxyphenyl)-6-methylpyrimidine-4-carboxylic acid
CID 136889419
3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid
CID 104806262
2-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62746248
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
2-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 62746772
2-(3-bromo-4-fluorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 82802424
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid
CID 79780842
4-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382464
N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 113455509

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid (CID 104807222) is 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(-c2occc2C)n1.
What is the InChIKey of 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid?
The InChIKey is MLOGDPOMNFCXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-3-4-16-9(6)10-12-7(2)5-8(13-10)11(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid?
6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-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 6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 104807222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).