4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine

C10H18N4OS — CID 57159457

IUPAC4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine
SMILESCSc1ncnc(NCCCOC(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-8(2)15-6-4-5-11-9-12-7-13-10(14-9)16-3/h7-8H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyVZPACYMCKZHVLV-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.82
Rot. Bonds7

About 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine

4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine (PubChem CID 57159457) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine
PubChem CID57159457
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine
SMILESCSc1ncnc(NCCCOC(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-8(2)15-6-4-5-11-9-12-7-13-10(14-9)16-3/h7-8H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyVZPACYMCKZHVLV-UHFFFAOYSA-N
XLogP1.82
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methoprotryne
CID 13290
2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine
CID 13305
N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine
CID 19390452
3-methoxy-N-[[4-[(3-methoxypropylamino)methylsulfanyl]-1,3,5-triazin-2-yl]sulfanylmethyl]propan-1-amine
CID 21430040
4-N-(3-methoxypropyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;1,3,5-triazine-2,4-diamine
CID 69612260
2-N,4-N-bis(1-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 70412444
2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine
CID 152063831
4-N-(3-methoxypropyl)-2-N,2-N-dimethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 152219895
4-N-(3-ethoxypropyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 152381604
CID 177719153
CID 177719153
4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80883871
4-butylsulfanyl-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80884807

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine (CID 57159457) is 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine is CSc1ncnc(NCCCOC(C)C)n1.
What is the InChIKey of 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine?
The InChIKey is VZPACYMCKZHVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8(2)15-6-4-5-11-9-12-7-13-10(14-9)16-3/h7-8H,4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine has a molecular weight of 242.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 57159457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).