4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C20H14F3N5 — CID 112866573

IUPAC4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1ccccc1Nc1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C20H14F3N5/c21-20(22,23)14-7-1-2-8-15(14)27-17-11-18(26-12-25-17)28-16-9-3-5-13-6-4-10-24-19(13)16/h1-12H,(H2,25,26,27,28)
InChIKeyJNYGTYBQOVFZJU-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.53
Rot. Bonds4

About 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112866573) has the molecular formula C20H14F3N5 and a molecular weight of 381.36 g/mol. Its IUPAC name is 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112866573
Molecular FormulaC20H14F3N5
Molecular Weight381.36 g/mol
Exact Mass381.12
IUPAC Name4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1ccccc1Nc1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C20H14F3N5/c21-20(22,23)14-7-1-2-8-15(14)27-17-11-18(26-12-25-17)28-16-9-3-5-13-6-4-10-24-19(13)16/h1-12H,(H2,25,26,27,28)
InChIKeyJNYGTYBQOVFZJU-UHFFFAOYSA-N
XLogP5.53
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968165
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927860
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112867081
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
N-pyridin-2-ylquinolin-8-amine
CID 82537542
6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
3-[[6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866576
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264

Frequently Asked Questions

What is the IUPAC name of 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112866573) is 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is FC(F)(F)c1ccccc1Nc1cc(Nc2cccc3cccnc23)ncn1.
What is the InChIKey of 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is JNYGTYBQOVFZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5/c21-20(22,23)14-7-1-2-8-15(14)27-17-11-18(26-12-25-17)28-16-9-3-5-13-6-4-10-24-19(13)16/h1-12H,(H2,25,26,27,28).
What are the key properties of 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 381.36 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112866573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).