6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine

C18H14F4N4O — CID 45275227

IUPAC6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(-c3ccc(C(F)(F)F)cc3F)c2N)cc1
InChIInChI=1S/C18H14F4N4O/c1-27-12-5-3-11(4-6-12)26-17-15(23)16(24-9-25-17)13-7-2-10(8-14(13)19)18(20,21)22/h2-9H,23H2,1H3,(H,24,25,26)
InChIKeyLMYYATFRSXRYIK-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.64
Rot. Bonds4

About 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine

6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 45275227) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
PubChem CID45275227
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC Name6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(-c3ccc(C(F)(F)F)cc3F)c2N)cc1
InChIInChI=1S/C18H14F4N4O/c1-27-12-5-3-11(4-6-12)26-17-15(23)16(24-9-25-17)13-7-2-10(8-14(13)19)18(20,21)22/h2-9H,23H2,1H3,(H,24,25,26)
InChIKeyLMYYATFRSXRYIK-UHFFFAOYSA-N
XLogP4.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenol
CID 45274467
6-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 45274364
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
4-N-(2-methoxy-5-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541980
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19149093
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine (CID 45275227) is 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine is COc1ccc(Nc2ncnc(-c3ccc(C(F)(F)F)cc3F)c2N)cc1.
What is the InChIKey of 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is LMYYATFRSXRYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c1-27-12-5-3-11(4-6-12)26-17-15(23)16(24-9-25-17)13-7-2-10(8-14(13)19)18(20,21)22/h2-9H,23H2,1H3,(H,24,25,26).
What are the key properties of 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 378.33 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 45275227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).