4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

C15H18BrClN4 — CID 80939644

IUPAC4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C15H18BrClN4/c1-3-5-13-20-14(18-4-2)9-15(21-13)19-12-7-6-10(16)8-11(12)17/h6-9H,3-5H2,1-2H3,(H2,18,19,20,21)
InChIKeyWWSAPFKZQMWISZ-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.02
Rot. Bonds6

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

4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80939644) has the molecular formula C15H18BrClN4 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80939644
Molecular FormulaC15H18BrClN4
Molecular Weight369.69 g/mol
Exact Mass368.04
IUPAC Name4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C15H18BrClN4/c1-3-5-13-20-14(18-4-2)9-15(21-13)19-12-7-6-10(16)8-11(12)17/h6-9H,3-5H2,1-2H3,(H2,18,19,20,21)
InChIKeyWWSAPFKZQMWISZ-UHFFFAOYSA-N
XLogP5.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 103481880
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946977
4-N-(4-bromo-2-chlorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80773687
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958702
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80939622
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80945010
4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80940149

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (CID 80939644) is 4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(Nc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is WWSAPFKZQMWISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4/c1-3-5-13-20-14(18-4-2)9-15(21-13)19-12-7-6-10(16)8-11(12)17/h6-9H,3-5H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 369.69 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80939644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).