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

C11H7F5N4 — CID 106769978

IUPAC4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2cc(F)ccc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F5N4/c12-5-1-2-6(13)7(3-5)18-9-4-8(17)19-10(20-9)11(14,15)16/h1-4H,(H3,17,18,19,20)
InChIKeyCELIZLUXBVDCOF-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.10
Rot. Bonds2

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

4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106769978) has the molecular formula C11H7F5N4 and a molecular weight of 290.19 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106769978
Molecular FormulaC11H7F5N4
Molecular Weight290.19 g/mol
Exact Mass290.06
IUPAC Name4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2cc(F)ccc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F5N4/c12-5-1-2-6(13)7(3-5)18-9-4-8(17)19-10(20-9)11(14,15)16/h1-4H,(H3,17,18,19,20)
InChIKeyCELIZLUXBVDCOF-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770731
4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770133
N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775940
4-N-(2-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770018
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775814
4-N-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770931
4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771302
4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772407
4-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772319
2-ethyl-4-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80940771

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106769978) is 4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(Nc2cc(F)ccc2F)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is CELIZLUXBVDCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N4/c12-5-1-2-6(13)7(3-5)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-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 290.19 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106769978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).