5-(4-ethylsulfanylphenyl)pyrimidin-2-amine

C12H13N3S — CID 39818402

IUPAC5-(4-ethylsulfanylphenyl)pyrimidin-2-amine
SMILESCCSc1ccc(-c2cnc(N)nc2)cc1
InChIInChI=1S/C12H13N3S/c1-2-16-11-5-3-9(4-6-11)10-7-14-12(13)15-8-10/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyIFJSYCNBCWTFPA-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.84
Rot. Bonds3

About 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine

5-(4-ethylsulfanylphenyl)pyrimidin-2-amine (PubChem CID 39818402) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-ethylsulfanylphenyl)pyrimidin-2-amine
PubChem CID39818402
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name5-(4-ethylsulfanylphenyl)pyrimidin-2-amine
SMILESCCSc1ccc(-c2cnc(N)nc2)cc1
InChIInChI=1S/C12H13N3S/c1-2-16-11-5-3-9(4-6-11)10-7-14-12(13)15-8-10/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyIFJSYCNBCWTFPA-UHFFFAOYSA-N
XLogP2.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine
CID 145116253
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
2-(4-ethylsulfanylphenyl)aniline
CID 68786818
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
[5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884155
4-(4-ethylsulfanylphenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 106850120
5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine
CID 82472660
1-ethylsulfanyl-4-(3-fluorophenyl)benzene
CID 91658089
4-(4-ethylsulfanylphenyl)benzaldehyde
CID 1392870
5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole
CID 116883734
5-propylsulfanylpyrimidin-2-amine
CID 119083338
1-ethylsulfanyl-4-(4-undecylsulfanylphenyl)benzene
CID 70387966

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine (CID 39818402) is 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine is CCSc1ccc(-c2cnc(N)nc2)cc1.
What is the InChIKey of 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine?
The InChIKey is IFJSYCNBCWTFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-16-11-5-3-9(4-6-11)10-7-14-12(13)15-8-10/h3-8H,2H2,1H3,(H2,13,14,15).
What are the key properties of 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine?
5-(4-ethylsulfanylphenyl)pyrimidin-2-amine has a molecular weight of 231.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfanylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 39818402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).