6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C20H18F3N3O — CID 11211007

IUPAC6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(C)nc(Nc3ccc(C(F)(F)F)cc3)c2C)c1
InChIInChI=1S/C20H18F3N3O/c1-12-18(14-5-4-6-17(11-14)27-3)24-13(2)25-19(12)26-16-9-7-15(8-10-16)20(21,22)23/h4-11H,1-3H3,(H,24,25,26)
InChIKeyHTLIEMCWNRWZLH-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.53
Rot. Bonds4

About 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 11211007) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID11211007
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(C)nc(Nc3ccc(C(F)(F)F)cc3)c2C)c1
InChIInChI=1S/C20H18F3N3O/c1-12-18(14-5-4-6-17(11-14)27-3)24-13(2)25-19(12)26-16-9-7-15(8-10-16)20(21,22)23/h4-11H,1-3H3,(H,24,25,26)
InChIKeyHTLIEMCWNRWZLH-UHFFFAOYSA-N
XLogP5.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3954774
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
2-tert-butyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11419180
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
1-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687479
2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430726
4-N-(2-methoxyphenyl)-2-methyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878286
2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 141217433
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 11211007) is 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is COc1cccc(-c2nc(C)nc(Nc3ccc(C(F)(F)F)cc3)c2C)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is HTLIEMCWNRWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12-18(14-5-4-6-17(11-14)27-3)24-13(2)25-19(12)26-16-9-7-15(8-10-16)20(21,22)23/h4-11H,1-3H3,(H,24,25,26).
What are the key properties of 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 373.38 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 11211007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).