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

C12H22N6O — CID 80761608

IUPAC4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCN1CCN(c2nc(N)nc(OC(C)C)n2)CC1
InChIInChI=1S/C12H22N6O/c1-4-17-5-7-18(8-6-17)11-14-10(13)15-12(16-11)19-9(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyOYLWYOWEPPOQFG-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.38
Rot. Bonds4

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

4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80761608) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80761608
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCN1CCN(c2nc(N)nc(OC(C)C)n2)CC1
InChIInChI=1S/C12H22N6O/c1-4-17-5-7-18(8-6-17)11-14-10(13)15-12(16-11)19-9(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyOYLWYOWEPPOQFG-UHFFFAOYSA-N
XLogP0.38
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62869517
4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80798570
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80784975
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 80800018
2-[4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80898063
4-(1-ethoxypropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 103491737
4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837736
2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80778474
4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877379
1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 80756673
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
CID 80779052
6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 106327513

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80761608) is 4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCN1CCN(c2nc(N)nc(OC(C)C)n2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is OYLWYOWEPPOQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-17-5-7-18(8-6-17)11-14-10(13)15-12(16-11)19-9(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80761608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).