5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine

C10H7Cl2FN4 — CID 80755029

IUPAC5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C10H7Cl2FN4/c11-5-2-1-3-7(8(5)13)16-9-6(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyXSVBHJWDQIJIFQ-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.25
Rot. Bonds2

About 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 80755029) has the molecular formula C10H7Cl2FN4 and a molecular weight of 273.10 g/mol. Its IUPAC name is 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID80755029
Molecular FormulaC10H7Cl2FN4
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C10H7Cl2FN4/c11-5-2-1-3-7(8(5)13)16-9-6(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyXSVBHJWDQIJIFQ-UHFFFAOYSA-N
XLogP3.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80755046
5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80760078
6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine
CID 114073969
4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
CID 80788273
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
CID 141202676
5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80921178
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 82234948

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine (CID 80755029) is 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine is Nc1ncc(Cl)c(Nc2cccc(Cl)c2F)n1.
What is the InChIKey of 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is XSVBHJWDQIJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN4/c11-5-2-1-3-7(8(5)13)16-9-6(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 273.10 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80755029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).