2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C16H21N3S — CID 106849521

IUPAC2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCSc1ccc(-c2nc(NC)cc(C(C)C)n2)cc1
InChIInChI=1S/C16H21N3S/c1-5-20-13-8-6-12(7-9-13)16-18-14(11(2)3)10-15(17-4)19-16/h6-11H,5H2,1-4H3,(H,17,18,19)
InChIKeyCHAYVIJYIOAXTB-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.42
Rot. Bonds5

About 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 106849521) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID106849521
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCSc1ccc(-c2nc(NC)cc(C(C)C)n2)cc1
InChIInChI=1S/C16H21N3S/c1-5-20-13-8-6-12(7-9-13)16-18-14(11(2)3)10-15(17-4)19-16/h6-11H,5H2,1-4H3,(H,17,18,19)
InChIKeyCHAYVIJYIOAXTB-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062
N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62192522
N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62190941
N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62190394
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559921
4-(4-ethylsulfanylphenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 106850120
2-[4-(difluoromethyl)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 115525281
N-methyl-6-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62190938
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
[2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 106849610
2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 106849543

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 106849521) is 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CCSc1ccc(-c2nc(NC)cc(C(C)C)n2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CHAYVIJYIOAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-5-20-13-8-6-12(7-9-13)16-18-14(11(2)3)10-15(17-4)19-16/h6-11H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106849521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).