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

C8H14N4OS — CID 19390452

IUPACN-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOCCCNc1ncnc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-13-5-3-4-9-7-10-6-11-8(12-7)14-2/h6H,3-5H2,1-2H3,(H,9,10,11,12)
InChIKeyOWSQEQYVIVEPSL-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.04
Rot. Bonds6

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

N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 19390452) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID19390452
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOCCCNc1ncnc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-13-5-3-4-9-7-10-6-11-8(12-7)14-2/h6H,3-5H2,1-2H3,(H,9,10,11,12)
InChIKeyOWSQEQYVIVEPSL-UHFFFAOYSA-N
XLogP1.04
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.04
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
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl-N'-(3-methoxypropyl)-
CID 190516
2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 20511916
3-methoxy-N-[[4-[(3-methoxypropylamino)methylsulfanyl]-1,3,5-triazin-2-yl]sulfanylmethyl]propan-1-amine
CID 21430040
N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine
CID 56980658
4-methylsulfanyl-N-(3-propan-2-yloxypropyl)-1,3,5-triazin-2-amine
CID 57159457
2-N-(1-methoxyethyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 68122636
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
4-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 69722645
2-N,4-N-bis(1-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 70412444
4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80885202

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine (CID 19390452) is N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine is COCCCNc1ncnc(SC)n1.
What is the InChIKey of N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is OWSQEQYVIVEPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-13-5-3-4-9-7-10-6-11-8(12-7)14-2/h6H,3-5H2,1-2H3,(H,9,10,11,12).
What are the key properties of N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine?
N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 19390452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).