5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine

C15H18BrN3S — CID 106849561

IUPAC5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
SMILESCCSc1ccc(-c2nc(CC)c(Br)c(NC)n2)cc1
InChIInChI=1S/C15H18BrN3S/c1-4-12-13(16)15(17-3)19-14(18-12)10-6-8-11(9-7-10)20-5-2/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyKAMDHAHXFPLSSV-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.62
Rot. Bonds5

About 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine

5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 106849561) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
PubChem CID106849561
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
SMILESCCSc1ccc(-c2nc(CC)c(Br)c(NC)n2)cc1
InChIInChI=1S/C15H18BrN3S/c1-4-12-13(16)15(17-3)19-14(18-12)10-6-8-11(9-7-10)20-5-2/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyKAMDHAHXFPLSSV-UHFFFAOYSA-N
XLogP4.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79980128
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 106849543
5-bromo-N,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66304226
5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106849549
6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine
CID 106849539
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387
5-bromo-6-ethyl-N-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
CID 66295211
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66296421
6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 63562088
5-iodo-6-(methoxymethyl)-N-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66296431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine (CID 106849561) is 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine is CCSc1ccc(-c2nc(CC)c(Br)c(NC)n2)cc1.
What is the InChIKey of 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is KAMDHAHXFPLSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-4-12-13(16)15(17-3)19-14(18-12)10-6-8-11(9-7-10)20-5-2/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine?
5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 352.30 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 106849561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).