2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid

C13H16N4O2S — CID 107554326

IUPAC2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCCc1cnc(C(C)Nc2nc(C)cc(C(=O)O)n2)s1
InChIInChI=1S/C13H16N4O2S/c1-4-9-6-14-11(20-9)8(3)16-13-15-7(2)5-10(17-13)12(18)19/h5-6,8H,4H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyBASVVSWSGOJCDF-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.68
Rot. Bonds5

About 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid

2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554326) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554326
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCCc1cnc(C(C)Nc2nc(C)cc(C(=O)O)n2)s1
InChIInChI=1S/C13H16N4O2S/c1-4-9-6-14-11(20-9)8(3)16-13-15-7(2)5-10(17-13)12(18)19/h5-6,8H,4H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyBASVVSWSGOJCDF-UHFFFAOYSA-N
XLogP2.68
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
CID 113387337
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448693
6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid
CID 107553535
2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554311
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
2-bromo-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 107282266
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxamide
CID 133335711
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 71976838
2-bromo-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 114888414
2-(but-3-yn-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554480
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 113387499

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid (CID 107554326) is 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid is CCc1cnc(C(C)Nc2nc(C)cc(C(=O)O)n2)s1.
What is the InChIKey of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is BASVVSWSGOJCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-4-9-6-14-11(20-9)8(3)16-13-15-7(2)5-10(17-13)12(18)19/h5-6,8H,4H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid?
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).