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

C14H17BrN4S — CID 80759959

IUPAC4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Br)c(C)c2)nc(SC)n1
InChIInChI=1S/C14H17BrN4S/c1-4-16-12-8-13(19-14(18-12)20-3)17-10-5-6-11(15)9(2)7-10/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyZTXLJAYGLIRLEU-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.44
Rot. Bonds5

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

4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80759959) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80759959
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC Name4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Br)c(C)c2)nc(SC)n1
InChIInChI=1S/C14H17BrN4S/c1-4-16-12-8-13(19-14(18-12)20-3)17-10-5-6-11(15)9(2)7-10/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyZTXLJAYGLIRLEU-UHFFFAOYSA-N
XLogP4.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940247
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956183
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
CID 80760803
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 80825643
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742
4-N-(3-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80755461
N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937868
4-bromo-N-ethyl-3-methylaniline;hydrochloride
CID 75530858
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80759959) is 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(Br)c(C)c2)nc(SC)n1.
What is the InChIKey of 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is ZTXLJAYGLIRLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c1-4-16-12-8-13(19-14(18-12)20-3)17-10-5-6-11(15)9(2)7-10/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 353.29 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80759959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).