4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine

C11H18N4O2S — CID 106497876

IUPAC4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(SCC2CCCO2)n1
InChIInChI=1S/C11H18N4O2S/c1-2-5-17-10-13-9(12)14-11(15-10)18-7-8-4-3-6-16-8/h8H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyHQTHTGRKOBJZTP-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.51
Rot. Bonds6

About 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine

4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 106497876) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID106497876
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(SCC2CCCO2)n1
InChIInChI=1S/C11H18N4O2S/c1-2-5-17-10-13-9(12)14-11(15-10)18-7-8-4-3-6-16-8/h8H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyHQTHTGRKOBJZTP-UHFFFAOYSA-N
XLogP1.51
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 4257341
4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106497760
4-cyclobutyloxy-6-propoxy-1,3,5-triazin-2-amine
CID 80872035
3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
CID 3671758
6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80795329
ethyl 4-amino-2-(oxan-2-ylmethylsulfanyl)pyrimidine-5-carboxylate
CID 42988583
6-(oxolan-2-ylmethoxy)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 23009045
N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106497966
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile
CID 107551519
2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane
CID 112815270
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80888591

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine (CID 106497876) is 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(SCC2CCCO2)n1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is HQTHTGRKOBJZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-5-17-10-13-9(12)14-11(15-10)18-7-8-4-3-6-16-8/h8H,2-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine?
4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 270.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106497876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).