N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide

C11H18N6O2 — CID 118672147

IUPACN-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(=O)CC)nc(N(C)C)n1
InChIInChI=1S/C11H18N6O2/c1-5-7(18)12-9-14-10(13-8(19)6-2)16-11(15-9)17(3)4/h5-6H2,1-4H3,(H2,12,13,14,15,16,18,19)
InChIKeyPBBFFFCRKQYSDW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.63
Rot. Bonds5

About N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide

N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide (PubChem CID 118672147) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
PubChem CID118672147
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC NameN-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(=O)CC)nc(N(C)C)n1
InChIInChI=1S/C11H18N6O2/c1-5-7(18)12-9-14-10(13-8(19)6-2)16-11(15-9)17(3)4/h5-6H2,1-4H3,(H2,12,13,14,15,16,18,19)
InChIKeyPBBFFFCRKQYSDW-UHFFFAOYSA-N
XLogP0.63
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide (CID 118672147) is N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(NC(=O)CC)nc(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
The InChIKey is PBBFFFCRKQYSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-5-7(18)12-9-14-10(13-8(19)6-2)16-11(15-9)17(3)4/h5-6H2,1-4H3,(H2,12,13,14,15,16,18,19).
What are the key properties of N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide has a molecular weight of 266.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 118672147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).