6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid

C13H15N3O2S — CID 107553535

IUPAC6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C13H15N3O2S/c1-7-6-10(12(17)18)16-13(14-7)15-9(3)11-5-4-8(2)19-11/h4-6,9H,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyAUXFJQBXNDBFCC-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.03
Rot. Bonds4

About 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid

6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid (PubChem CID 107553535) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid
PubChem CID107553535
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C13H15N3O2S/c1-7-6-10(12(17)18)16-13(14-7)15-9(3)11-5-4-8(2)19-11/h4-6,9H,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyAUXFJQBXNDBFCC-UHFFFAOYSA-N
XLogP3.03
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 112691799
6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 62238868
2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 61477326
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554326
2-(but-3-yn-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554480
2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554311
6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553898
2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553885
5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81440150
N,N-dimethyl-4-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxamide
CID 61474383
3-fluoro-4-[1-(5-methylthiophen-2-yl)ethylamino]benzoic acid
CID 55108031
5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
CID 43106636

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid (CID 107553535) is 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NC(C)c2ccc(C)s2)n1.
What is the InChIKey of 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid?
The InChIKey is AUXFJQBXNDBFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-6-10(12(17)18)16-13(14-7)15-9(3)11-5-4-8(2)19-11/h4-6,9H,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid?
6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).