1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol

C15H19N3OS — CID 65038506

IUPAC1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol
SMILESCc1nc(SCC(O)c2cccc(N)c2)nc(C)c1C
InChIInChI=1S/C15H19N3OS/c1-9-10(2)17-15(18-11(9)3)20-8-14(19)12-5-4-6-13(16)7-12/h4-7,14,19H,8,16H2,1-3H3
InChIKeyYFTSLWFCYUHMSX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.81
Rot. Bonds4

About 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol

1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol (PubChem CID 65038506) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol
PubChem CID65038506
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol
SMILESCc1nc(SCC(O)c2cccc(N)c2)nc(C)c1C
InChIInChI=1S/C15H19N3OS/c1-9-10(2)17-15(18-11(9)3)20-8-14(19)12-5-4-6-13(16)7-12/h4-7,14,19H,8,16H2,1-3H3
InChIKeyYFTSLWFCYUHMSX-UHFFFAOYSA-N
XLogP2.81
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol
CID 102924753
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
1-(3-aminophenyl)-2-pyridin-2-ylsulfanylethanol
CID 62269524
1-(3-aminophenyl)-2-(2-methylbutylsulfanyl)ethanol
CID 107748858
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
CID 55055399
1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
CID 62267773
methyl 2-[2-(3-aminophenyl)-2-hydroxyethyl]sulfanylacetate
CID 62268827
1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 113221262
2-(3-bromo-2-methylpropyl)sulfanyl-4,5,6-trimethylpyrimidine
CID 65038550
1-(3,4-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 107525275
1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 65043787

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol (CID 65038506) is 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol is Cc1nc(SCC(O)c2cccc(N)c2)nc(C)c1C.
What is the InChIKey of 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol?
The InChIKey is YFTSLWFCYUHMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-10(2)17-15(18-11(9)3)20-8-14(19)12-5-4-6-13(16)7-12/h4-7,14,19H,8,16H2,1-3H3.
What are the key properties of 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol?
1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol has a molecular weight of 289.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol is sourced from PubChem (CID 65038506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).