6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid

C11H11N3O2S — CID 62799012

IUPAC6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Cc2csc(C)n2)n1
InChIInChI=1S/C11H11N3O2S/c1-6-3-9(11(15)16)14-10(12-6)4-8-5-17-7(2)13-8/h3,5H,4H2,1-2H3,(H,15,16)
InChIKeySEIWRVJAWDGOCO-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.84
Rot. Bonds3

About 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid

6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid (PubChem CID 62799012) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid
PubChem CID62799012
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Cc2csc(C)n2)n1
InChIInChI=1S/C11H11N3O2S/c1-6-3-9(11(15)16)14-10(12-6)4-8-5-17-7(2)13-8/h3,5H,4H2,1-2H3,(H,15,16)
InChIKeySEIWRVJAWDGOCO-UHFFFAOYSA-N
XLogP1.84
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-methylpyrimidine-4-carboxylic acid
CID 62746068
6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid
CID 62744842
4-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62925499
5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243341
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62799486
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
CID 63377198
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356111
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 62797947
3,5-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106034765
6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642384
4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 55119649

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid (CID 62799012) is 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(Cc2csc(C)n2)n1.
What is the InChIKey of 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is SEIWRVJAWDGOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-3-9(11(15)16)14-10(12-6)4-8-5-17-7(2)13-8/h3,5H,4H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid?
6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 62799012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).