1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine

C16H21N3S — CID 62304633

IUPAC1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Sc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H21N3S/c1-5-17-13(4)14-6-8-15(9-7-14)20-16-18-11(2)10-12(3)19-16/h6-10,13,17H,5H2,1-4H3
InChIKeyUOHYCBALOHMJJJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.92
Rot. Bonds5

About 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine

1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine (PubChem CID 62304633) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
PubChem CID62304633
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Sc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H21N3S/c1-5-17-13(4)14-6-8-15(9-7-14)20-16-18-11(2)10-12(3)19-16/h6-10,13,17H,5H2,1-4H3
InChIKeyUOHYCBALOHMJJJ-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 62268390
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 55238909
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 63533066
1-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 63533933
N-ethyl-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43286479
1-[3-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]-N-ethylethanamine
CID 102925115
1-[3-bromo-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]-N-ethylethanamine
CID 102925144
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine
CID 64634490
N-[1-[4-(4-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286559
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
ethyl 2-[4-[1-(ethylamino)ethyl]phenyl]sulfanylpentanoate
CID 83052085

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine (CID 62304633) is 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine is CCNC(C)c1ccc(Sc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine?
The InChIKey is UOHYCBALOHMJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-5-17-13(4)14-6-8-15(9-7-14)20-16-18-11(2)10-12(3)19-16/h6-10,13,17H,5H2,1-4H3.
What are the key properties of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine?
1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine is sourced from PubChem (CID 62304633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).