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

C11H7BrClF3N4 — CID 106772502

IUPAC4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(Cl)c(Br)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrClF3N4/c12-6-3-5(1-2-7(6)13)18-9-4-8(17)19-10(20-9)11(14,15)16/h1-4H,(H3,17,18,19,20)
InChIKeyOVXVXLQWSNTHIL-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.24
Rot. Bonds2

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

4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772502) has the molecular formula C11H7BrClF3N4 and a molecular weight of 367.56 g/mol. Its IUPAC name is 4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772502
Molecular FormulaC11H7BrClF3N4
Molecular Weight367.56 g/mol
Exact Mass365.95
IUPAC Name4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(Cl)c(Br)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrClF3N4/c12-6-3-5(1-2-7(6)13)18-9-4-8(17)19-10(20-9)11(14,15)16/h1-4H,(H3,17,18,19,20)
InChIKeyOVXVXLQWSNTHIL-UHFFFAOYSA-N
XLogP4.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775897
4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771981
4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770133
4-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772319
4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769991
4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770049
4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772407
4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770731
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-chlorobenzonitrile
CID 106772546
4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772648
4-N-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770931

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772502) is 4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(Nc2ccc(Cl)c(Br)c2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is OVXVXLQWSNTHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N4/c12-6-3-5(1-2-7(6)13)18-9-4-8(17)19-10(20-9)11(14,15)16/h1-4H,(H3,17,18,19,20).
What are the key properties of 4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 367.56 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).