4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

C14H24N4O2S — CID 80887761

IUPAC4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)C)nc(SC2CCOCC2)n1
InChIInChI=1S/C14H24N4O2S/c1-4-7-15-12-16-13(20-10(2)3)18-14(17-12)21-11-5-8-19-9-6-11/h10-11H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyJSBAPKFRMIPWTJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.75
Rot. Bonds7

About 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80887761) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80887761
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)C)nc(SC2CCOCC2)n1
InChIInChI=1S/C14H24N4O2S/c1-4-7-15-12-16-13(20-10(2)3)18-14(17-12)21-11-5-8-19-9-6-11/h10-11H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyJSBAPKFRMIPWTJ-UHFFFAOYSA-N
XLogP2.75
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80889258
4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80876739
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818729
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80753941
4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107765081
2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80842496
6-ethoxy-2-N-methyl-2-N-(oxan-4-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775272
2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80794931
1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol
CID 80771712

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (CID 80887761) is 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC(C)C)nc(SC2CCOCC2)n1.
What is the InChIKey of 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is JSBAPKFRMIPWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-7-15-12-16-13(20-10(2)3)18-14(17-12)21-11-5-8-19-9-6-11/h10-11H,4-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).