4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H23N5O2 — CID 80798570

IUPAC4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCOC1CCN(c2nc(N)nc(OC(C)C)n2)CC1
InChIInChI=1S/C13H23N5O2/c1-4-19-10-5-7-18(8-6-10)12-15-11(14)16-13(17-12)20-9(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyITBQINVGFJHNOJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.25
Rot. Bonds5

About 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80798570) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80798570
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCOC1CCN(c2nc(N)nc(OC(C)C)n2)CC1
InChIInChI=1S/C13H23N5O2/c1-4-19-10-5-7-18(8-6-10)12-15-11(14)16-13(17-12)20-9(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyITBQINVGFJHNOJ-UHFFFAOYSA-N
XLogP1.25
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80761608
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80784975
4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837736
4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776487
4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877379
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 175422800
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276875
1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 80756673
4-(1-ethoxypropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 103491737
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 80800018
4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80861761

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80798570) is 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCOC1CCN(c2nc(N)nc(OC(C)C)n2)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is ITBQINVGFJHNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-19-10-5-7-18(8-6-10)12-15-11(14)16-13(17-12)20-9(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80798570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).