4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine

C14H16BrFN4 — CID 80941489

IUPAC4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Br)c(F)c2)nc(CC)n1
InChIInChI=1S/C14H16BrFN4/c1-3-12-19-13(17-4-2)8-14(20-12)18-9-5-6-10(15)11(16)7-9/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyYMIAYKKGVCWIIH-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.12
Rot. Bonds5

About 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine

4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80941489) has the molecular formula C14H16BrFN4 and a molecular weight of 339.21 g/mol. Its IUPAC name is 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80941489
Molecular FormulaC14H16BrFN4
Molecular Weight339.21 g/mol
Exact Mass338.05
IUPAC Name4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Br)c(F)c2)nc(CC)n1
InChIInChI=1S/C14H16BrFN4/c1-3-12-19-13(17-4-2)8-14(20-12)18-9-5-6-10(15)11(16)7-9/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyYMIAYKKGVCWIIH-UHFFFAOYSA-N
XLogP4.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107608393
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940247
4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934313
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80759959
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 80941489) is 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(Br)c(F)c2)nc(CC)n1.
What is the InChIKey of 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is YMIAYKKGVCWIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4/c1-3-12-19-13(17-4-2)8-14(20-12)18-9-5-6-10(15)11(16)7-9/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 339.21 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).