2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C16H23N5OS — CID 15594762

IUPAC2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(C(C)Nc2nc(N)nc(SC)n2)cc1C(C)C
InChIInChI=1S/C16H23N5OS/c1-9(2)12-8-11(6-7-13(12)22-4)10(3)18-15-19-14(17)20-16(21-15)23-5/h6-10H,1-5H3,(H3,17,18,19,20,21)
InChIKeyFTWADUOYDJEWIA-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.48
Rot. Bonds6

About 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 15594762) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID15594762
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(C(C)Nc2nc(N)nc(SC)n2)cc1C(C)C
InChIInChI=1S/C16H23N5OS/c1-9(2)12-8-11(6-7-13(12)22-4)10(3)18-15-19-14(17)20-16(21-15)23-5/h6-10H,1-5H3,(H3,17,18,19,20,21)
InChIKeyFTWADUOYDJEWIA-UHFFFAOYSA-N
XLogP3.48
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine 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

2-N-[1-(3-chloro-4-methoxyphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 15594743
2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide
CID 139655199
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide
CID 139655224
2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 15594759
3-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276482
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine
CID 44523304

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 15594762) is 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is COc1ccc(C(C)Nc2nc(N)nc(SC)n2)cc1C(C)C.
What is the InChIKey of 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FTWADUOYDJEWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-9(2)12-8-11(6-7-13(12)22-4)10(3)18-15-19-14(17)20-16(21-15)23-5/h6-10H,1-5H3,(H3,17,18,19,20,21).
What are the key properties of 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 333.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15594762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).