6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H5ClF5N3 — CID 106767003

IUPAC6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1cc(F)cc(Nc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H5ClF5N3/c12-8-4-9(20-10(19-8)11(15,16)17)18-7-2-5(13)1-6(14)3-7/h1-4H,(H,18,19,20)
InChIKeyUBNLFFHHIZEXED-UHFFFAOYSA-N
MW309.63 g/mol
LogP4.17
Rot. Bonds2

About 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767003) has the molecular formula C11H5ClF5N3 and a molecular weight of 309.63 g/mol. Its IUPAC name is 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767003
Molecular FormulaC11H5ClF5N3
Molecular Weight309.63 g/mol
Exact Mass309.01
IUPAC Name6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1cc(F)cc(Nc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H5ClF5N3/c12-8-4-9(20-10(19-8)11(15,16)17)18-7-2-5(13)1-6(14)3-7/h1-4H,(H,18,19,20)
InChIKeyUBNLFFHHIZEXED-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.63
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N4-(3,5-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2730123
(4,6-Dimethyl-pyrimidin-2-yl)-(2-fluoro-phenyl)-amine
CID 16804589
2,4-Pyrimidinediamine, 6-chloro-N4-(3,4-dichlorophenyl)-
CID 238747
2-Amino-4-phenylamino-6-methylpyrimidine
CID 608203
N4-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2766291
2-chloro-6-methyl-N-phenylpyrimidin-4-amine
CID 504699
6-chloro-N4-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 388060
N-(6-chloro-4-pyrimidinyl)-N-[4-(dimethylamino)phenyl]amine
CID 1201004
N~4~-(4-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 2766305
6-chloro-N-(3-(trifluoromethyl)phenyl)pyrimidin-4-amine
CID 57780902
6-Chloro-N~4~-(2-chlorophenyl)pyrimidine-2,4(1H,3H)-diimine
CID 240805
4-N-(2-chlorophenyl)-5-ethylpyrimidine-2,4,6-triamine
CID 242429

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767003) is 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine is Fc1cc(F)cc(Nc2cc(Cl)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UBNLFFHHIZEXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF5N3/c12-8-4-9(20-10(19-8)11(15,16)17)18-7-2-5(13)1-6(14)3-7/h1-4H,(H,18,19,20).
What are the key properties of 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 309.63 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).