2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid

C15H11F3N4O2S — CID 150160984

IUPAC2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESC[C@H](Nc1nc(C(=O)O)c2sc(C(F)(F)F)cc2n1)c1ccccn1
InChIInChI=1S/C15H11F3N4O2S/c1-7(8-4-2-3-5-19-8)20-14-21-9-6-10(15(16,17)18)25-12(9)11(22-14)13(23)24/h2-7H,1H3,(H,23,24)(H,20,21,22)/t7-/m0/s1
InChIKeyFHKRZJYLSWEAQC-ZETCQYMHSA-N
MW368.34 g/mol
LogP3.98
Rot. Bonds4

About 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid

2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid (PubChem CID 150160984) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid
PubChem CID150160984
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESC[C@H](Nc1nc(C(=O)O)c2sc(C(F)(F)F)cc2n1)c1ccccn1
InChIInChI=1S/C15H11F3N4O2S/c1-7(8-4-2-3-5-19-8)20-14-21-9-6-10(15(16,17)18)25-12(9)11(22-14)13(23)24/h2-7H,1H3,(H,23,24)(H,20,21,22)/t7-/m0/s1
InChIKeyFHKRZJYLSWEAQC-ZETCQYMHSA-N
XLogP3.98
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539530
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-[4-(hydroxymethyl)phenyl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 151587887
4-[2-[[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]amino]ethyl]benzoic acid
CID 152596948
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 153637824
Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907063
6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539740
N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540220
N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540389
N-(2-hydroxyethyl)-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540499
N-(2-hydroxyethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 149889542
N-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 152361701
N-[(2R)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 153637702

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid (CID 150160984) is 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid is C[C@H](Nc1nc(C(=O)O)c2sc(C(F)(F)F)cc2n1)c1ccccn1.
What is the InChIKey of 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid?
The InChIKey is FHKRZJYLSWEAQC-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c1-7(8-4-2-3-5-19-8)20-14-21-9-6-10(15(16,17)18)25-12(9)11(22-14)13(23)24/h2-7H,1H3,(H,23,24)(H,20,21,22)/t7-/m0/s1.
What are the key properties of 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid?
2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid has a molecular weight of 368.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-pyridin-2-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 150160984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).