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

C15H22N6O — CID 41260428

IUPAC6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(N[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H22N6O/c1-5-22-12-8-6-11(7-9-12)17-10(2)13-18-14(16)20-15(19-13)21(3)4/h6-10,17H,5H2,1-4H3,(H2,16,18,19,20)/t10-/m0/s1
InChIKeyAWVCMXFLVSEMCX-JTQLQIEISA-N
MW302.38 g/mol
LogP2.09
Rot. Bonds6

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

6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 41260428) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID41260428
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(N[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H22N6O/c1-5-22-12-8-6-11(7-9-12)17-10(2)13-18-14(16)20-15(19-13)21(3)4/h6-10,17H,5H2,1-4H3,(H2,16,18,19,20)/t10-/m0/s1
InChIKeyAWVCMXFLVSEMCX-JTQLQIEISA-N
XLogP2.09
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 41260428) is 6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCOc1ccc(N[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1.
What is the InChIKey of 6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AWVCMXFLVSEMCX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N6O/c1-5-22-12-8-6-11(7-9-12)17-10(2)13-18-14(16)20-15(19-13)21(3)4/h6-10,17H,5H2,1-4H3,(H2,16,18,19,20)/t10-/m0/s1.
What are the key properties of 6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-(4-ethoxyanilino)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 41260428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).