4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H9F5N4 — CID 114564272

IUPAC4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cccc(F)c2F)cc(C(F)(F)F)n1
InChIInChI=1S/C12H9F5N4/c1-18-11-20-8(12(15,16)17)5-9(21-11)19-7-4-2-3-6(13)10(7)14/h2-5H,1H3,(H2,18,19,20,21)
InChIKeyKFNAEDCNLNOIIL-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.56
Rot. Bonds3

About 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564272) has the molecular formula C12H9F5N4 and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564272
Molecular FormulaC12H9F5N4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cccc(F)c2F)cc(C(F)(F)F)n1
InChIInChI=1S/C12H9F5N4/c1-18-11-20-8(12(15,16)17)5-9(21-11)19-7-4-2-3-6(13)10(7)14/h2-5H,1H3,(H2,18,19,20,21)
InChIKeyKFNAEDCNLNOIIL-UHFFFAOYSA-N
XLogP3.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.56
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-bromophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563666
4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107531763
4-N-(3-bromo-4-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565780
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
4-N-(1,3-dimethylpyrazol-4-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102807806
N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567318
N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567317
2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 114564923
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564272) is 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cccc(F)c2F)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is KFNAEDCNLNOIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N4/c1-18-11-20-8(12(15,16)17)5-9(21-11)19-7-4-2-3-6(13)10(7)14/h2-5H,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 304.22 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).