2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide

C13H23N5O2 — CID 57296254

IUPAC2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide
SMILESCCN(CC)c1nc(OC)nc(C(C(N)=O)C(C)C)n1
InChIInChI=1S/C13H23N5O2/c1-6-18(7-2)12-15-11(16-13(17-12)20-5)9(8(3)4)10(14)19/h8-9H,6-7H2,1-5H3,(H2,14,19)
InChIKeyGXPQASODHVIQFP-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.95
Rot. Bonds7

About 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide

2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide (PubChem CID 57296254) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide
PubChem CID57296254
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide
SMILESCCN(CC)c1nc(OC)nc(C(C(N)=O)C(C)C)n1
InChIInChI=1S/C13H23N5O2/c1-6-18(7-2)12-15-11(16-13(17-12)20-5)9(8(3)4)10(14)19/h8-9H,6-7H2,1-5H3,(H2,14,19)
InChIKeyGXPQASODHVIQFP-UHFFFAOYSA-N
XLogP0.95
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide?
The IUPAC name of 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide (CID 57296254) is 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide is CCN(CC)c1nc(OC)nc(C(C(N)=O)C(C)C)n1.
What is the InChIKey of 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide?
The InChIKey is GXPQASODHVIQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-6-18(7-2)12-15-11(16-13(17-12)20-5)9(8(3)4)10(14)19/h8-9H,6-7H2,1-5H3,(H2,14,19).
What are the key properties of 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide?
2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide has a molecular weight of 281.36 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-3-methylbutanamide is sourced from PubChem (CID 57296254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).