4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H10BrF3N4 — CID 114563666

IUPAC4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2Br)cc(C(F)(F)F)n1
InChIInChI=1S/C12H10BrF3N4/c1-17-11-19-9(12(14,15)16)6-10(20-11)18-8-5-3-2-4-7(8)13/h2-6H,1H3,(H2,17,18,19,20)
InChIKeyYMZOKAOSWUNZRB-UHFFFAOYSA-N
MW347.14 g/mol
LogP4.04
Rot. Bonds3

About 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563666) has the molecular formula C12H10BrF3N4 and a molecular weight of 347.14 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563666
Molecular FormulaC12H10BrF3N4
Molecular Weight347.14 g/mol
Exact Mass346.00
IUPAC Name4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2Br)cc(C(F)(F)F)n1
InChIInChI=1S/C12H10BrF3N4/c1-17-11-19-9(12(14,15)16)6-10(20-11)18-8-5-3-2-4-7(8)13/h2-6H,1H3,(H2,17,18,19,20)
InChIKeyYMZOKAOSWUNZRB-UHFFFAOYSA-N
XLogP4.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563666) is 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2ccccc2Br)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is YMZOKAOSWUNZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4/c1-17-11-19-9(12(14,15)16)6-10(20-11)18-8-5-3-2-4-7(8)13/h2-6H,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 347.14 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).