6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid

C12H13N3O2S — CID 107553518

IUPAC6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NCCc2ccsc2)n1
InChIInChI=1S/C12H13N3O2S/c1-8-6-10(11(16)17)15-12(14-8)13-4-2-9-3-5-18-7-9/h3,5-7H,2,4H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNISOMGJCNJWGIW-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.20
Rot. Bonds5

About 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid

6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid (PubChem CID 107553518) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid
PubChem CID107553518
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NCCc2ccsc2)n1
InChIInChI=1S/C12H13N3O2S/c1-8-6-10(11(16)17)15-12(14-8)13-4-2-9-3-5-18-7-9/h3,5-7H,2,4H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNISOMGJCNJWGIW-UHFFFAOYSA-N
XLogP2.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
2-[2-(5-chlorothiophen-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 106042979
6-methyl-2-(3-methylsulfonylpropylamino)pyrimidine-4-carboxylic acid
CID 107553393
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553402
2-[(5-hydroxy-4-methylpentyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 106162734
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554424
6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
CID 107554495
6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
CID 106197907
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321773

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid (CID 107553518) is 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NCCc2ccsc2)n1.
What is the InChIKey of 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid?
The InChIKey is NISOMGJCNJWGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-6-10(11(16)17)15-12(14-8)13-4-2-9-3-5-18-7-9/h3,5-7H,2,4H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid?
6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).