acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

C11H21ClN6O — CID 87097569

IUPACacetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCC(N)=O.CCNc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C9H16ClN5.C2H5NO/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4;1-2(3)4/h5H2,1-4H3,(H2,11,12,13,14,15);1H3,(H2,3,4)
InChIKeyATHYLEXCRNWOME-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.66
Rot. Bonds3

About acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 87097569) has the molecular formula C11H21ClN6O and a molecular weight of 288.78 g/mol. Its IUPAC name is acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameacetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID87097569
Molecular FormulaC11H21ClN6O
Molecular Weight288.78 g/mol
Exact Mass288.15
IUPAC Nameacetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCC(N)=O.CCNc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C9H16ClN5.C2H5NO/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4;1-2(3)4/h5H2,1-4H3,(H2,11,12,13,14,15);1H3,(H2,3,4)
InChIKeyATHYLEXCRNWOME-UHFFFAOYSA-N
XLogP1.66
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 87097569) is acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine is CC(N)=O.CCNc1nc(Cl)nc(NC(C)(C)C)n1.
What is the InChIKey of acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ATHYLEXCRNWOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5.C2H5NO/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4;1-2(3)4/h5H2,1-4H3,(H2,11,12,13,14,15);1H3,(H2,3,4).
What are the key properties of acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 288.78 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 87097569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).