4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine

C12H11Cl2FN4 — CID 83082156

IUPAC4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C12H11Cl2FN4/c1-5-11(16)17-6(2)18-12(5)19-10-8(13)3-7(15)4-9(10)14/h3-4H,1-2H3,(H3,16,17,18,19)
InChIKeyRNCLZUDZLOJWFW-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.87
Rot. Bonds2

About 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 83082156) has the molecular formula C12H11Cl2FN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID83082156
Molecular FormulaC12H11Cl2FN4
Molecular Weight301.15 g/mol
Exact Mass300.03
IUPAC Name4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C12H11Cl2FN4/c1-5-11(16)17-6(2)18-12(5)19-10-8(13)3-7(15)4-9(10)14/h3-4H,1-2H3,(H3,16,17,18,19)
InChIKeyRNCLZUDZLOJWFW-UHFFFAOYSA-N
XLogP3.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 83082156) is 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(Nc2c(Cl)cc(F)cc2Cl)n1.
What is the InChIKey of 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is RNCLZUDZLOJWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN4/c1-5-11(16)17-6(2)18-12(5)19-10-8(13)3-7(15)4-9(10)14/h3-4H,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 301.15 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 83082156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).