1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine

C15H19N3OS — CID 64626203

IUPAC1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCCOc1ccc(C(N)CSc2ncc(C)cn2)cc1
InChIInChI=1S/C15H19N3OS/c1-3-19-13-6-4-12(5-7-13)14(16)10-20-15-17-8-11(2)9-18-15/h4-9,14H,3,10,16H2,1-2H3
InChIKeyVTQPWPIAAHSQAY-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.98
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine

1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 64626203) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
PubChem CID64626203
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCCOc1ccc(C(N)CSc2ncc(C)cn2)cc1
InChIInChI=1S/C15H19N3OS/c1-3-19-13-6-4-12(5-7-13)14(16)10-20-15-17-8-11(2)9-18-15/h4-9,14H,3,10,16H2,1-2H3
InChIKeyVTQPWPIAAHSQAY-UHFFFAOYSA-N
XLogP2.98
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927594
1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64625808
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64626405
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 64632965
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105140871
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79671253
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910
1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659260
2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine
CID 64649061
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 64628587

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine (CID 64626203) is 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine is CCOc1ccc(C(N)CSc2ncc(C)cn2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is VTQPWPIAAHSQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-19-13-6-4-12(5-7-13)14(16)10-20-15-17-8-11(2)9-18-15/h4-9,14H,3,10,16H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 64626203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).