5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C12H9F3IN3O — CID 107105171

IUPAC5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1nc(-c2cccc(OC(F)(F)F)c2)nc(N)c1I
InChIInChI=1S/C12H9F3IN3O/c1-6-9(16)10(17)19-11(18-6)7-3-2-4-8(5-7)20-12(13,14)15/h2-5H,1H3,(H2,17,18,19)
InChIKeyOVGALENADJDHCJ-UHFFFAOYSA-N
MW395.12 g/mol
LogP3.54
Rot. Bonds2

About 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine

5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 107105171) has the molecular formula C12H9F3IN3O and a molecular weight of 395.12 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID107105171
Molecular FormulaC12H9F3IN3O
Molecular Weight395.12 g/mol
Exact Mass394.97
IUPAC Name5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1nc(-c2cccc(OC(F)(F)F)c2)nc(N)c1I
InChIInChI=1S/C12H9F3IN3O/c1-6-9(16)10(17)19-11(18-6)7-3-2-4-8(5-7)20-12(13,14)15/h2-5H,1H3,(H2,17,18,19)
InChIKeyOVGALENADJDHCJ-UHFFFAOYSA-N
XLogP3.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.12
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105178
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296695
5-iodo-6-methyl-2-phenylpyrimidin-4-amine
CID 12795372
2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107105157
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 90750927
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
2-(3-fluoro-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306892
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105132
2-(3-bromo-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 105410430
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 107105171) is 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Cc1nc(-c2cccc(OC(F)(F)F)c2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is OVGALENADJDHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3IN3O/c1-6-9(16)10(17)19-11(18-6)7-3-2-4-8(5-7)20-12(13,14)15/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 395.12 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 107105171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).