[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol

C14H25N5O2 — CID 80774756

IUPAC[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
SMILESCCCNc1nc(OCC)nc(N2CCCCC2CO)n1
InChIInChI=1S/C14H25N5O2/c1-3-8-15-12-16-13(18-14(17-12)21-4-2)19-9-6-5-7-11(19)10-20/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyWORBMGBVVXZNKI-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.44
Rot. Bonds7

About [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol

[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol (PubChem CID 80774756) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
PubChem CID80774756
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
SMILESCCCNc1nc(OCC)nc(N2CCCCC2CO)n1
InChIInChI=1S/C14H25N5O2/c1-3-8-15-12-16-13(18-14(17-12)21-4-2)19-9-6-5-7-11(19)10-20/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyWORBMGBVVXZNKI-UHFFFAOYSA-N
XLogP1.44
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-ethyl-6-(2-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 83045624
[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
4-ethoxy-N-ethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80776425
[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640734
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
CID 80766741
[1-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794942
3-[1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80826047
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550
2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802906
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one
CID 80817195

Frequently Asked Questions

What is the IUPAC name of [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol (CID 80774756) is [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol is CCCNc1nc(OCC)nc(N2CCCCC2CO)n1.
What is the InChIKey of [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol?
The InChIKey is WORBMGBVVXZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-8-15-12-16-13(18-14(17-12)21-4-2)19-9-6-5-7-11(19)10-20/h11,20H,3-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol?
[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol has a molecular weight of 295.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 80774756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).