2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid

C13H15N3O2S — CID 107554215

IUPAC2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid
SMILESCC(C)(CNc1nccc(C(=O)O)n1)c1cccs1
InChIInChI=1S/C13H15N3O2S/c1-13(2,10-4-3-7-19-10)8-15-12-14-6-5-9(16-12)11(17)18/h3-7H,8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyZKIKEOQUJWMBKI-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.63
Rot. Bonds5

About 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid

2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 107554215) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid
PubChem CID107554215
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid
SMILESCC(C)(CNc1nccc(C(=O)O)n1)c1cccs1
InChIInChI=1S/C13H15N3O2S/c1-13(2,10-4-3-7-19-10)8-15-12-14-6-5-9(16-12)11(17)18/h3-7H,8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyZKIKEOQUJWMBKI-UHFFFAOYSA-N
XLogP2.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoic acid
CID 80528287
2-(1,3-thiazol-5-ylmethylamino)pyrimidine-4-carboxylic acid
CID 107554461
2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295661
6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 80524375
2-(2-ethylsulfinylethylamino)pyrimidine-4-carboxylic acid
CID 107554425
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 78962887
4,6-dimethyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80522433
5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80528307
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 80528245
3-methyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2-thiazole-4-carboxylic acid
CID 80527810

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid (CID 107554215) is 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid is CC(C)(CNc1nccc(C(=O)O)n1)c1cccs1.
What is the InChIKey of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is ZKIKEOQUJWMBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-13(2,10-4-3-7-19-10)8-15-12-14-6-5-9(16-12)11(17)18/h3-7H,8H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid?
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).