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

C11H7ClF4N4 — CID 106770731

IUPAC4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2cc(Cl)ccc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7ClF4N4/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)
InChIKeyNOZBJXAAYMWUBB-UHFFFAOYSA-N
MW306.65 g/mol
LogP3.61
Rot. Bonds2

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

4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770731) has the molecular formula C11H7ClF4N4 and a molecular weight of 306.65 g/mol. Its IUPAC name is 4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770731
Molecular FormulaC11H7ClF4N4
Molecular Weight306.65 g/mol
Exact Mass306.03
IUPAC Name4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2cc(Cl)ccc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7ClF4N4/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)
InChIKeyNOZBJXAAYMWUBB-UHFFFAOYSA-N
XLogP3.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.65
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769978
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770133
4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192
4-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772319
2-tert-butyl-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,6-diamine
CID 80956055
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-chlorobenzonitrile
CID 106772546
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
6-N-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717889
6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine
CID 114070545
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775814

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770731) is 4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(Nc2cc(Cl)ccc2F)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is NOZBJXAAYMWUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF4N4/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-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 306.65 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).