4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine

C12H12ClFN4 — CID 107531896

IUPAC4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H12ClFN4/c1-7-6-16-12(15-2)18-11(7)17-10-5-8(14)3-4-9(10)13/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyRJWQIJMJFROFRE-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.36
Rot. Bonds3

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

4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 107531896) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID107531896
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H12ClFN4/c1-7-6-16-12(15-2)18-11(7)17-10-5-8(14)3-4-9(10)13/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyRJWQIJMJFROFRE-UHFFFAOYSA-N
XLogP3.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine (CID 107531896) is 4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is RJWQIJMJFROFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-7-6-16-12(15-2)18-11(7)17-10-5-8(14)3-4-9(10)13/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 266.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 107531896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).