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

C19H15ClF3N3O — CID 15987726

IUPAC4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H15ClF3N3O/c1-27-15-8-2-12(3-9-15)11-24-18-25-16(10-17(26-18)19(21,22)23)13-4-6-14(20)7-5-13/h2-10H,11H2,1H3,(H,24,25,26)
InChIKeyWRAJGYGRDXSVCW-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.44
Rot. Bonds5

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

4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 15987726) has the molecular formula C19H15ClF3N3O and a molecular weight of 393.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID15987726
Molecular FormulaC19H15ClF3N3O
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC Name4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H15ClF3N3O/c1-27-15-8-2-12(3-9-15)11-24-18-25-16(10-17(26-18)19(21,22)23)13-4-6-14(20)7-5-13/h2-10H,11H2,1H3,(H,24,25,26)
InChIKeyWRAJGYGRDXSVCW-UHFFFAOYSA-N
XLogP5.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 10172601
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 10287141
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 10309295
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
4-[2-Chloro-6-(4,4,4-Trifluorobutoxy)phenyl]-6-Methylpyrimidin-2-Amine
CID 51049656
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 1490527
4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 1480507
N-[4-(4-Chloro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-N'-[1-(3,4-dimethoxy-phenyl)-eth-(Z)-ylidene]-hydrazine
CID 5774564
4-Chloro-5-(4-methoxybenzyl)-6-methylpyrimidin-2-amine
CID 919161

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 15987726) is 4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WRAJGYGRDXSVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O/c1-27-15-8-2-12(3-9-15)11-24-18-25-16(10-17(26-18)19(21,22)23)13-4-6-14(20)7-5-13/h2-10H,11H2,1H3,(H,24,25,26).
What are the key properties of 4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 393.80 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 15987726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).