4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine

C9H16N4OS — CID 107765408

IUPAC4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCCSc1nc(N)nc(OC)n1
InChIInChI=1S/C9H16N4OS/c1-3-4-5-6-15-9-12-7(10)11-8(13-9)14-2/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeySZKNMHFZBYTWMS-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.74
Rot. Bonds6

About 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine

4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 107765408) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine
PubChem CID107765408
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCCSc1nc(N)nc(OC)n1
InChIInChI=1S/C9H16N4OS/c1-3-4-5-6-15-9-12-7(10)11-8(13-9)14-2/h3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeySZKNMHFZBYTWMS-UHFFFAOYSA-N
XLogP1.74
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxy-6-pentylsulfanyl-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

2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[4-(methylamino)-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-pentylsulfanyl-1,3,5-triazine-2,4-diamine
CID 118933409
4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine
CID 80884039
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine
CID 94830323
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
CID 80894662
(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924545
4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
CID 80889976
4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 107751046
2-hexylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4255605
4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine
CID 43129559
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494
5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
CID 29006653

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine (CID 107765408) is 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine is CCCCCSc1nc(N)nc(OC)n1.
What is the InChIKey of 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is SZKNMHFZBYTWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-4-5-6-15-9-12-7(10)11-8(13-9)14-2/h3-6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine?
4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 228.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).