N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine

C13H24N6O — CID 80833952

IUPACN-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(N2CCN(CC)C(C)C2)n1
InChIInChI=1S/C13H24N6O/c1-5-14-11-15-12(17-13(16-11)20-4)19-8-7-18(6-2)10(3)9-19/h10H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyKLGPQQMFIRCROS-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.84
Rot. Bonds5

About N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine

N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80833952) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80833952
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(N2CCN(CC)C(C)C2)n1
InChIInChI=1S/C13H24N6O/c1-5-14-11-15-12(17-13(16-11)20-4)19-8-7-18(6-2)10(3)9-19/h10H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyKLGPQQMFIRCROS-UHFFFAOYSA-N
XLogP0.84
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

[4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80911156
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80780634
1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80766965
1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
CID 80757168
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855575
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 103541981
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887838
[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782717
4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
4-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80848798
4-(2,6-dimethylmorpholin-4-yl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80749448
2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 63615539

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine (CID 80833952) is N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(N2CCN(CC)C(C)C2)n1.
What is the InChIKey of N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is KLGPQQMFIRCROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-5-14-11-15-12(17-13(16-11)20-4)19-8-7-18(6-2)10(3)9-19/h10H,5-9H2,1-4H3,(H,14,15,16,17).
What are the key properties of N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 280.38 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80833952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).