4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H9ClF4N4 — CID 107531763

IUPAC4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)ccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H9ClF4N4/c1-18-11-20-9(12(15,16)17)5-10(21-11)19-8-4-6(14)2-3-7(8)13/h2-5H,1H3,(H2,18,19,20,21)
InChIKeyKPQNKOPSESYFHJ-UHFFFAOYSA-N
MW320.68 g/mol
LogP4.07
Rot. Bonds3

About 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 107531763) has the molecular formula C12H9ClF4N4 and a molecular weight of 320.68 g/mol. Its IUPAC name is 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID107531763
Molecular FormulaC12H9ClF4N4
Molecular Weight320.68 g/mol
Exact Mass320.05
IUPAC Name4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)ccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H9ClF4N4/c1-18-11-20-9(12(15,16)17)5-10(21-11)19-8-4-6(14)2-3-7(8)13/h2-5H,1H3,(H2,18,19,20,21)
InChIKeyKPQNKOPSESYFHJ-UHFFFAOYSA-N
XLogP4.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.68
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563686
4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564272
4-N-(2-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563666
2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649814
6-N-(2-chloro-4-fluorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102716940
4-N-(3-bromo-4-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565780
4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896
4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102807806
4-N-(2-chloro-5-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531811
N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567317
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine
CID 107530585

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 107531763) is 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cc(F)ccc2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is KPQNKOPSESYFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N4/c1-18-11-20-9(12(15,16)17)5-10(21-11)19-8-4-6(14)2-3-7(8)13/h2-5H,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 320.68 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107531763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).