4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine

C12H10BrF3N4O — CID 103193720

IUPAC4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(Br)cc2OC(F)(F)F)ncn1
InChIInChI=1S/C12H10BrF3N4O/c1-17-10-5-11(19-6-18-10)20-8-3-2-7(13)4-9(8)21-12(14,15)16/h2-6H,1H3,(H2,17,18,19,20)
InChIKeyHHMFIIOFJPAZFA-UHFFFAOYSA-N
MW363.14 g/mol
LogP3.92
Rot. Bonds4

About 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine

4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 103193720) has the molecular formula C12H10BrF3N4O and a molecular weight of 363.14 g/mol. Its IUPAC name is 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID103193720
Molecular FormulaC12H10BrF3N4O
Molecular Weight363.14 g/mol
Exact Mass362.00
IUPAC Name4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(Br)cc2OC(F)(F)F)ncn1
InChIInChI=1S/C12H10BrF3N4O/c1-17-10-5-11(19-6-18-10)20-8-3-2-7(13)4-9(8)21-12(14,15)16/h2-6H,1H3,(H2,17,18,19,20)
InChIKeyHHMFIIOFJPAZFA-UHFFFAOYSA-N
XLogP3.92
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193595
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyrimidine-2,4-diamine
CID 103193728
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
CID 106583296
3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193591
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 103193533
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192731
1-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192723
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-5-methylpyrimidine-2,4-diamine
CID 103193719
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine
CID 103192737
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 103193106
4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 122282065

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine (CID 103193720) is 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(Br)cc2OC(F)(F)F)ncn1.
What is the InChIKey of 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is HHMFIIOFJPAZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4O/c1-17-10-5-11(19-6-18-10)20-8-3-2-7(13)4-9(8)21-12(14,15)16/h2-6H,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 363.14 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 103193720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).