6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine

C11H6F6N4 — CID 114564923

IUPAC6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cc(F)cc(F)c2F)cc(C(F)(F)F)n1
InChIInChI=1S/C11H6F6N4/c12-4-1-5(13)9(14)6(2-4)19-8-3-7(11(15,16)17)20-10(18)21-8/h1-3H,(H3,18,19,20,21)
InChIKeyQCFZZDYPZGEDCC-UHFFFAOYSA-N
MW308.19 g/mol
LogP3.24
Rot. Bonds2

About 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine

6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 114564923) has the molecular formula C11H6F6N4 and a molecular weight of 308.19 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID114564923
Molecular FormulaC11H6F6N4
Molecular Weight308.19 g/mol
Exact Mass308.05
IUPAC Name6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cc(F)cc(F)c2F)cc(C(F)(F)F)n1
InChIInChI=1S/C11H6F6N4/c12-4-1-5(13)9(14)6(2-4)19-8-3-7(11(15,16)17)20-10(18)21-8/h1-3H,(H3,18,19,20,21)
InChIKeyQCFZZDYPZGEDCC-UHFFFAOYSA-N
XLogP3.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563699
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-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563643
2-propyl-4-N-(2,3,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954841
6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyridin-2-amine
CID 80918997
4-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114563683
4-N-[(3,4-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564540
6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine
CID 62808949
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 80919229
4-N-(2-chloro-5-fluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107531763

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine (CID 114564923) is 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine is Nc1nc(Nc2cc(F)cc(F)c2F)cc(C(F)(F)F)n1.
What is the InChIKey of 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is QCFZZDYPZGEDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N4/c12-4-1-5(13)9(14)6(2-4)19-8-3-7(11(15,16)17)20-10(18)21-8/h1-3H,(H3,18,19,20,21).
What are the key properties of 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine?
6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 308.19 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-N-(2,3,5-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).