1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

C13H23N7O — CID 80751565

IUPAC1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCCNc1nc(N(C)C)nc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H23N7O/c1-5-14-11-15-12(18(3)4)17-13(16-11)20-8-6-19(7-9-20)10(2)21/h5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyLFMPXMMUYNHJPX-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.04
Rot. Bonds4

About 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 80751565) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
PubChem CID80751565
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCCNc1nc(N(C)C)nc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H23N7O/c1-5-14-11-15-12(18(3)4)17-13(16-11)20-8-6-19(7-9-20)10(2)21/h5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyLFMPXMMUYNHJPX-UHFFFAOYSA-N
XLogP0.04
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
1-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 80901624
2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80805026
1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80766965
1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 62868838
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80793310
6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 103542047
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80767336
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800829
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 82752442
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide
CID 80794641
4-N-cyclopropyl-2-N-ethyl-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775644

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (CID 80751565) is 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is CCNc1nc(N(C)C)nc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is LFMPXMMUYNHJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-5-14-11-15-12(18(3)4)17-13(16-11)20-8-6-19(7-9-20)10(2)21/h5-9H2,1-4H3,(H,14,15,16,17).
What are the key properties of 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 293.38 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 80751565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).