4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

C15H20N4OS — CID 80883595

IUPAC4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Sc2cccc(C)c2)n1
InChIInChI=1S/C15H20N4OS/c1-4-9-16-13-17-14(20-5-2)19-15(18-13)21-12-8-6-7-11(3)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,16,17,18,19)
InChIKeySOZBBZUOUHKGSX-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.55
Rot. Bonds7

About 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80883595) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
PubChem CID80883595
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Sc2cccc(C)c2)n1
InChIInChI=1S/C15H20N4OS/c1-4-9-16-13-17-14(20-5-2)19-15(18-13)21-12-8-6-7-11(3)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,16,17,18,19)
InChIKeySOZBBZUOUHKGSX-UHFFFAOYSA-N
XLogP3.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine 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

4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
4-(3-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80892291
4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80889128
N-ethyl-4-(3-methylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883594
4-(3-chlorophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80892069
4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80872051
4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785153
[4-(3-bromophenyl)sulfanyl-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929944
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103334616

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (CID 80883595) is 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(Sc2cccc(C)c2)n1.
What is the InChIKey of 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is SOZBBZUOUHKGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-9-16-13-17-14(20-5-2)19-15(18-13)21-12-8-6-7-11(3)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).