[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol

C13H23N5O2 — CID 116640734

IUPAC[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol
SMILESCCNc1nc(OC)nc(N2CCCCCC2CO)n1
InChIInChI=1S/C13H23N5O2/c1-3-14-11-15-12(17-13(16-11)20-2)18-8-6-4-5-7-10(18)9-19/h10,19H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeySUAJIJPWOLVCMO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.05
Rot. Bonds5

About [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol

[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol (PubChem CID 116640734) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol
PubChem CID116640734
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol
SMILESCCNc1nc(OC)nc(N2CCCCCC2CO)n1
InChIInChI=1S/C13H23N5O2/c1-3-14-11-15-12(17-13(16-11)20-2)18-8-6-4-5-7-10(18)9-19/h10,19H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeySUAJIJPWOLVCMO-UHFFFAOYSA-N
XLogP1.05
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 104693031
[1-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794942
[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 80774756
4-ethoxy-N-ethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80776425
4-ethoxy-N-ethyl-6-(2-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 83045624
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794784
[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80821345
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80774727
1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
CID 80757168
4-cyclopentyloxy-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844670
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745

Frequently Asked Questions

What is the IUPAC name of [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol (CID 116640734) is [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol is CCNc1nc(OC)nc(N2CCCCCC2CO)n1.
What is the InChIKey of [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol?
The InChIKey is SUAJIJPWOLVCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-14-11-15-12(17-13(16-11)20-2)18-8-6-4-5-7-10(18)9-19/h10,19H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol?
[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol has a molecular weight of 281.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol is sourced from PubChem (CID 116640734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).