3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol

C11H20N4O2S — CID 80890838

IUPAC3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
SMILESCNc1nc(OC(C)C)nc(SC(C)CCO)n1
InChIInChI=1S/C11H20N4O2S/c1-7(2)17-10-13-9(12-4)14-11(15-10)18-8(3)5-6-16/h7-8,16H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyGRGKOFWRHARZRM-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.56
Rot. Bonds7

About 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol

3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol (PubChem CID 80890838) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
PubChem CID80890838
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
SMILESCNc1nc(OC(C)C)nc(SC(C)CCO)n1
InChIInChI=1S/C11H20N4O2S/c1-7(2)17-10-13-9(12-4)14-11(15-10)18-8(3)5-6-16/h7-8,16H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyGRGKOFWRHARZRM-UHFFFAOYSA-N
XLogP1.56
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772904
methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885885
2-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827070
3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106149849
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163511
4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80889092
4-(1-methoxypropan-2-yloxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80880228
4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 114102497
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 66138340
2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802852
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928501
4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106659350

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol?
The IUPAC name of 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol (CID 80890838) is 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol?
The canonical SMILES for 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol is CNc1nc(OC(C)C)nc(SC(C)CCO)n1.
What is the InChIKey of 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol?
The InChIKey is GRGKOFWRHARZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-7(2)17-10-13-9(12-4)14-11(15-10)18-8(3)5-6-16/h7-8,16H,5-6H2,1-4H3,(H,12,13,14,15).
What are the key properties of 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol?
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol has a molecular weight of 272.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol is sourced from PubChem (CID 80890838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).