4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

C15H19BrN4 — CID 107638626

IUPAC4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(Nc2cccc(Br)c2C)c1C
InChIInChI=1S/C15H19BrN4/c1-5-17-14-10(3)15(19-11(4)18-14)20-13-8-6-7-12(16)9(13)2/h6-8H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyDSFFKITYIQGCNS-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.34
Rot. Bonds4

About 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 107638626) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID107638626
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(Nc2cccc(Br)c2C)c1C
InChIInChI=1S/C15H19BrN4/c1-5-17-14-10(3)15(19-11(4)18-14)20-13-8-6-7-12(16)9(13)2/h6-8H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyDSFFKITYIQGCNS-UHFFFAOYSA-N
XLogP4.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807
6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80783110
4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 106761016
4-N-(2,4-dimethylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80763640
5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
CID 82697948
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 107638678
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80859735
4-N-(4-chloro-2-fluorophenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80800979
6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80804662

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (CID 107638626) is 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(Nc2cccc(Br)c2C)c1C.
What is the InChIKey of 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is DSFFKITYIQGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-5-17-14-10(3)15(19-11(4)18-14)20-13-8-6-7-12(16)9(13)2/h6-8H,5H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 107638626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).