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

C11H12N4O2S — CID 107553402

IUPAC6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NCc2nc(C)cs2)n1
InChIInChI=1S/C11H12N4O2S/c1-6-3-8(10(16)17)15-11(14-6)12-4-9-13-7(2)5-18-9/h3,5H,4H2,1-2H3,(H,16,17)(H,12,14,15)
InChIKeyIMFBGFUYPJGWMF-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.86
Rot. Bonds4

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

6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid (PubChem CID 107553402) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
PubChem CID107553402
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NCc2nc(C)cs2)n1
InChIInChI=1S/C11H12N4O2S/c1-6-3-8(10(16)17)15-11(14-6)12-4-9-13-7(2)5-18-9/h3,5H,4H2,1-2H3,(H,16,17)(H,12,14,15)
InChIKeyIMFBGFUYPJGWMF-UHFFFAOYSA-N
XLogP1.86
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
3,5-difluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 63185095
6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
CID 106197907
6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
CID 107554495
6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553849
5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 62516219
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
2-[[(5-methylpyrimidin-2-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378949
4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112636987
6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid
CID 107553518
4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 114907279
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid (CID 107553402) is 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NCc2nc(C)cs2)n1.
What is the InChIKey of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid?
The InChIKey is IMFBGFUYPJGWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-3-8(10(16)17)15-11(14-6)12-4-9-13-7(2)5-18-9/h3,5H,4H2,1-2H3,(H,16,17)(H,12,14,15).
What are the key properties of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid?
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).