4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

C20H15F3N6 — CID 19144821

IUPAC4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C20H15F3N6/c21-20(22,23)13-6-8-14(9-7-13)28-18-16(24)19(27-11-26-18)29-15-5-1-3-12-4-2-10-25-17(12)15/h1-11H,24H2,(H2,26,27,28,29)
InChIKeyZHGBEZPUHMQWIY-UHFFFAOYSA-N
MW396.38 g/mol
LogP5.11
Rot. Bonds4

About 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 19144821) has the molecular formula C20H15F3N6 and a molecular weight of 396.38 g/mol. Its IUPAC name is 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID19144821
Molecular FormulaC20H15F3N6
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC Name4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C20H15F3N6/c21-20(22,23)13-6-8-14(9-7-13)28-18-16(24)19(27-11-26-18)29-15-5-1-3-12-4-2-10-25-17(12)15/h1-11H,24H2,(H2,26,27,28,29)
InChIKeyZHGBEZPUHMQWIY-UHFFFAOYSA-N
XLogP5.11
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.38
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144751
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144804
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144805
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19137290
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545606
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 155924843

Frequently Asked Questions

What is the IUPAC name of 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 19144821) is 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1cccc2cccnc12.
What is the InChIKey of 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is ZHGBEZPUHMQWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6/c21-20(22,23)13-6-8-14(9-7-13)28-18-16(24)19(27-11-26-18)29-15-5-1-3-12-4-2-10-25-17(12)15/h1-11H,24H2,(H2,26,27,28,29).
What are the key properties of 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 396.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).