5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine

C16H20BrN3S — CID 106849549

IUPAC5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(SCC)cc2)nc(C)c1Br
InChIInChI=1S/C16H20BrN3S/c1-4-10-18-16-14(17)11(3)19-15(20-16)12-6-8-13(9-7-12)21-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyGTPDRZAFZICWPQ-UHFFFAOYSA-N
MW366.33 g/mol
LogP5.15
Rot. Bonds6

About 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 106849549) has the molecular formula C16H20BrN3S and a molecular weight of 366.33 g/mol. Its IUPAC name is 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID106849549
Molecular FormulaC16H20BrN3S
Molecular Weight366.33 g/mol
Exact Mass365.06
IUPAC Name5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(SCC)cc2)nc(C)c1Br
InChIInChI=1S/C16H20BrN3S/c1-4-10-18-16-14(17)11(3)19-15(20-16)12-6-8-13(9-7-12)21-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyGTPDRZAFZICWPQ-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892
2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486623
2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 106849543
5-bromo-6-methyl-2-(6-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 66305685
5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
CID 106849561
5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66295533
5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103570523
5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 81311702
5-bromo-N,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66304226
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 106849549) is 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(SCC)cc2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is GTPDRZAFZICWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3S/c1-4-10-18-16-14(17)11(3)19-15(20-16)12-6-8-13(9-7-12)21-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 366.33 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106849549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).