4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H10BrF3N4 — CID 114563598

IUPAC4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C(F)(F)F)nc(N)n2)ccc1Br
InChIInChI=1S/C12H10BrF3N4/c1-6-4-7(2-3-8(6)13)18-10-5-9(12(14,15)16)19-11(17)20-10/h2-5H,1H3,(H3,17,18,19,20)
InChIKeyJXCBWNSWDPORHU-UHFFFAOYSA-N
MW347.14 g/mol
LogP3.89
Rot. Bonds2

About 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563598) has the molecular formula C12H10BrF3N4 and a molecular weight of 347.14 g/mol. Its IUPAC name is 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563598
Molecular FormulaC12H10BrF3N4
Molecular Weight347.14 g/mol
Exact Mass346.00
IUPAC Name4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C(F)(F)F)nc(N)n2)ccc1Br
InChIInChI=1S/C12H10BrF3N4/c1-6-4-7(2-3-8(6)13)18-10-5-9(12(14,15)16)19-11(17)20-10/h2-5H,1H3,(H3,17,18,19,20)
InChIKeyJXCBWNSWDPORHU-UHFFFAOYSA-N
XLogP3.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694870
4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563699
4-N-(3-bromo-4-methylphenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565052
4-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114563683
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80909095
4-N-(3-bromo-4-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565780
6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
CID 80791340
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114563663
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771981
2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
CID 80652758
5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 114870519
6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine
CID 22643181

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563598) is 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2cc(C(F)(F)F)nc(N)n2)ccc1Br.
What is the InChIKey of 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is JXCBWNSWDPORHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4/c1-6-4-7(2-3-8(6)13)18-10-5-9(12(14,15)16)19-11(17)20-10/h2-5H,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 347.14 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).