6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C24H19F3N4 — CID 11350663

IUPAC6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1ccc(Nc2ccccc2-c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1
InChIInChI=1S/C24H19F3N4/c1-16-6-10-18(11-7-16)30-21-5-3-2-4-20(21)22-14-23(29-15-28-22)31-19-12-8-17(9-13-19)24(25,26)27/h2-15,30H,1H3,(H,28,29,31)
InChIKeyATSILQWGMQQEGV-UHFFFAOYSA-N
MW420.44 g/mol
LogP6.96
Rot. Bonds5

About 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 11350663) has the molecular formula C24H19F3N4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID11350663
Molecular FormulaC24H19F3N4
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1ccc(Nc2ccccc2-c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1
InChIInChI=1S/C24H19F3N4/c1-16-6-10-18(11-7-16)30-21-5-3-2-4-20(21)22-14-23(29-15-28-22)31-19-12-8-17(9-13-19)24(25,26)27/h2-15,30H,1H3,(H,28,29,31)
InChIKeyATSILQWGMQQEGV-UHFFFAOYSA-N
XLogP6.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.44
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350757
N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10381898
N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine
CID 11209329
N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143320872
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
2,2-dimethyl-N-[4-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]propanamide
CID 68917876
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
3-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
CID 59982989
2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169108707
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 11350663) is 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1ccc(Nc2ccccc2-c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1.
What is the InChIKey of 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ATSILQWGMQQEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4/c1-16-6-10-18(11-7-16)30-21-5-3-2-4-20(21)22-14-23(29-15-28-22)31-19-12-8-17(9-13-19)24(25,26)27/h2-15,30H,1H3,(H,28,29,31).
What are the key properties of 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 420.44 g/mol, XLogP of 6.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 11350663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).