4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

C15H18BrClN4 — CID 103481880

IUPAC4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C15H18BrClN4/c1-3-6-12-20-13(18-4-2)9-14(21-12)19-11-8-5-7-10(17)15(11)16/h5,7-9H,3-4,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyUYHKLHIPXUVYTD-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.02
Rot. Bonds6

About 4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 103481880) has the molecular formula C15H18BrClN4 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
PubChem CID103481880
Molecular FormulaC15H18BrClN4
Molecular Weight369.69 g/mol
Exact Mass368.04
IUPAC Name4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C15H18BrClN4/c1-3-6-12-20-13(18-4-2)9-14(21-12)19-11-8-5-7-10(17)15(11)16/h5,7-9H,3-4,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyUYHKLHIPXUVYTD-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

6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80945010
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742
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-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940247
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (CID 103481880) is 4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(Nc2cccc(Cl)c2Br)n1.
What is the InChIKey of 4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is UYHKLHIPXUVYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4/c1-3-6-12-20-13(18-4-2)9-14(21-12)19-11-8-5-7-10(17)15(11)16/h5,7-9H,3-4,6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
4-N-(2-bromo-3-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-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 103481880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).