4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine

C10H7Cl2FN4 — CID 80755046

IUPAC4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H7Cl2FN4/c11-5-2-1-3-7(8(5)12)16-9-6(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyKPRRRKFLKGXFDD-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.25
Rot. Bonds2

About 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine

4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80755046) has the molecular formula C10H7Cl2FN4 and a molecular weight of 273.10 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80755046
Molecular FormulaC10H7Cl2FN4
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H7Cl2FN4/c11-5-2-1-3-7(8(5)12)16-9-6(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyKPRRRKFLKGXFDD-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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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine (CID 80755046) is 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine is Nc1ncc(F)c(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is KPRRRKFLKGXFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN4/c11-5-2-1-3-7(8(5)12)16-9-6(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17).
What are the key properties of 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-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 4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80755046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).