4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine

C14H16BrClN4 — CID 81272137

IUPAC4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Cl)cc2Br)nc(CC)n1
InChIInChI=1S/C14H16BrClN4/c1-3-12-19-13(17-4-2)8-14(20-12)18-11-6-5-9(16)7-10(11)15/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyUAMCULPIIJSQKM-UHFFFAOYSA-N
MW355.67 g/mol
LogP4.63
Rot. Bonds5

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

4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 81272137) has the molecular formula C14H16BrClN4 and a molecular weight of 355.67 g/mol. Its IUPAC name is 4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID81272137
Molecular FormulaC14H16BrClN4
Molecular Weight355.67 g/mol
Exact Mass354.02
IUPAC Name4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Cl)cc2Br)nc(CC)n1
InChIInChI=1S/C14H16BrClN4/c1-3-12-19-13(17-4-2)8-14(20-12)18-11-6-5-9(16)7-10(11)15/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyUAMCULPIIJSQKM-UHFFFAOYSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.67
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256414
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256620
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 81272386
4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107608393
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256281
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 81272137) is 4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(Cl)cc2Br)nc(CC)n1.
What is the InChIKey of 4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is UAMCULPIIJSQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4/c1-3-12-19-13(17-4-2)8-14(20-12)18-11-6-5-9(16)7-10(11)15/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 355.67 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 81272137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).