6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine

C14H13F3N4O2S — CID 90436569

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
SMILESNc1ncnc(N2CCCc3ccccc32)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N4O2S/c15-14(16,17)24(22,23)11-12(18)19-8-20-13(11)21-7-3-5-9-4-1-2-6-10(9)21/h1-2,4,6,8H,3,5,7H2,(H2,18,19,20)
InChIKeyHSZQRUPLNZUPLK-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.44
Rot. Bonds2

About 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine

6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine (PubChem CID 90436569) has the molecular formula C14H13F3N4O2S and a molecular weight of 358.35 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
PubChem CID90436569
Molecular FormulaC14H13F3N4O2S
Molecular Weight358.35 g/mol
Exact Mass358.07
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
SMILESNc1ncnc(N2CCCc3ccccc32)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N4O2S/c15-14(16,17)24(22,23)11-12(18)19-8-20-13(11)21-7-3-5-9-4-1-2-6-10(9)21/h1-2,4,6,8H,3,5,7H2,(H2,18,19,20)
InChIKeyHSZQRUPLNZUPLK-UHFFFAOYSA-N
XLogP2.44
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
CID 158033009
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine
CID 2960132
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136949
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531404
4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine
CID 79910683
1-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19147413
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545603
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147361
ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147410
1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 63735943
1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 110875036
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80749716

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine (CID 90436569) is 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine is Nc1ncnc(N2CCCc3ccccc32)c1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The InChIKey is HSZQRUPLNZUPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S/c15-14(16,17)24(22,23)11-12(18)19-8-20-13(11)21-7-3-5-9-4-1-2-6-10(9)21/h1-2,4,6,8H,3,5,7H2,(H2,18,19,20).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine has a molecular weight of 358.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine is sourced from PubChem (CID 90436569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).