6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C21H14F4N4 — CID 11353447

IUPAC6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1-c1cc2ncccc2cc1F
InChIInChI=1S/C21H14F4N4/c1-12-19(16-10-18-13(9-17(16)22)3-2-8-26-18)27-11-28-20(12)29-15-6-4-14(5-7-15)21(23,24)25/h2-11H,1H3,(H,27,28,29)
InChIKeyYDZOTCAEOWKPCH-UHFFFAOYSA-N
MW398.36 g/mol
LogP5.90
Rot. Bonds3

About 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 11353447) has the molecular formula C21H14F4N4 and a molecular weight of 398.36 g/mol. Its IUPAC name is 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID11353447
Molecular FormulaC21H14F4N4
Molecular Weight398.36 g/mol
Exact Mass398.12
IUPAC Name6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1-c1cc2ncccc2cc1F
InChIInChI=1S/C21H14F4N4/c1-12-19(16-10-18-13(9-17(16)22)3-2-8-26-18)27-11-28-20(12)29-15-6-4-14(5-7-15)21(23,24)25/h2-11H,1H3,(H,27,28,29)
InChIKeyYDZOTCAEOWKPCH-UHFFFAOYSA-N
XLogP5.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.36
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11419180
5-methyl-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 11395317
6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 45275227
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
6-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 45274364
5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine
CID 11699501
N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 155924843
4-[[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenol
CID 45274467
6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 11280496
benzenesulfonate;2-cyclopropyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-4-amine
CID 11238559
N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 163201890

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 11353447) is 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1-c1cc2ncccc2cc1F.
What is the InChIKey of 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is YDZOTCAEOWKPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4/c1-12-19(16-10-18-13(9-17(16)22)3-2-8-26-18)27-11-28-20(12)29-15-6-4-14(5-7-15)21(23,24)25/h2-11H,1H3,(H,27,28,29).
What are the key properties of 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 398.36 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 11353447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).