6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H25N7 — CID 34600416

IUPAC6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C13H25N7/c1-5-19-6-8-20(9-7-19)10(2)11-15-12(14)17-13(16-11)18(3)4/h10H,5-9H2,1-4H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyZPAHDTLTBCTMCR-JTQLQIEISA-N
MW279.39 g/mol
LogP0.22
Rot. Bonds4

About 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 34600416) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID34600416
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C13H25N7/c1-5-19-6-8-20(9-7-19)10(2)11-15-12(14)17-13(16-11)18(3)4/h10H,5-9H2,1-4H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyZPAHDTLTBCTMCR-JTQLQIEISA-N
XLogP0.22
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 34600416) is 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCN1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZPAHDTLTBCTMCR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25N7/c1-5-19-6-8-20(9-7-19)10(2)11-15-12(14)17-13(16-11)18(3)4/h10H,5-9H2,1-4H3,(H2,14,15,16,17)/t10-/m0/s1.
What are the key properties of 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34600416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).