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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Related Compounds

5-[4-(3,4-Dichlorophenyl)piperazin-1-Yl]pyrimidine-2,4-Diamine
CID 122164615
1-(2,3-Dichlorophenyl)-3-pyridin-4-ylurea
CID 23288286
N-(3-Chlorophenyl)-N'-(2-pyrimidinyl)urea
CID 840362
Bisanilinopyrimidine, 3p
CID 70702128
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865600
4-N-(3-chloro-4-fluorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747104
4-N-(3-chlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 67304928
5-Chloro-N4-Phenylpyrimidine-2,4-Diamine
CID 80769364
N-(3-chloro-4-fluorophenyl)-N'-(5-chloro-2-pyridinyl)urea
CID 6469448
2-N,4-N-bis(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 44527001
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
2-Chloro-4-[4-(2-chlorophenyl)-1-piperazinyl]pyrimidine
CID 1713610

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).