N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C19H16F3N3O — CID 3954774

IUPACN-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3cccc(C(F)(F)F)c3)nc(C)n2)cc1
InChIInChI=1S/C19H16F3N3O/c1-12-23-17(13-4-3-5-14(10-13)19(20,21)22)11-18(24-12)25-15-6-8-16(26-2)9-7-15/h3-11H,1-2H3,(H,23,24,25)
InChIKeyOFERBVYEDDXFBG-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.22
Rot. Bonds4

About N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3954774) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3954774
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3cccc(C(F)(F)F)c3)nc(C)n2)cc1
InChIInChI=1S/C19H16F3N3O/c1-12-23-17(13-4-3-5-14(10-13)19(20,21)22)11-18(24-12)25-15-6-8-16(26-2)9-7-15/h3-11H,1-2H3,(H,23,24,25)
InChIKeyOFERBVYEDDXFBG-UHFFFAOYSA-N
XLogP5.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3282642
2-methyl-N-prop-2-enyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 5086296
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
4-N-(2-methoxyphenyl)-2-methyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878286
methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 20898989
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11211007
4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
CID 16876818

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3954774) is N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is COc1ccc(Nc2cc(-c3cccc(C(F)(F)F)c3)nc(C)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is OFERBVYEDDXFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-12-23-17(13-4-3-5-14(10-13)19(20,21)22)11-18(24-12)25-15-6-8-16(26-2)9-7-15/h3-11H,1-2H3,(H,23,24,25).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 359.35 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3954774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).