N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide

C10H16N6O — CID 102248514

IUPACN-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCc1nc(N)nc(N)n1
InChIInChI=1S/C10H16N6O/c1-6(2)8(17)16(3)5-4-7-13-9(11)15-10(12)14-7/h1,4-5H2,2-3H3,(H4,11,12,13,14,15)
InChIKeyUZVBRAWOTWKZPN-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.39
Rot. Bonds4

About N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide

N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide (PubChem CID 102248514) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide
PubChem CID102248514
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC NameN-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCc1nc(N)nc(N)n1
InChIInChI=1S/C10H16N6O/c1-6(2)8(17)16(3)5-4-7-13-9(11)15-10(12)14-7/h1,4-5H2,2-3H3,(H4,11,12,13,14,15)
InChIKeyUZVBRAWOTWKZPN-UHFFFAOYSA-N
XLogP-0.39
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide?
The IUPAC name of N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide (CID 102248514) is N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CCc1nc(N)nc(N)n1.
What is the InChIKey of N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide?
The InChIKey is UZVBRAWOTWKZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-6(2)8(17)16(3)5-4-7-13-9(11)15-10(12)14-7/h1,4-5H2,2-3H3,(H4,11,12,13,14,15).
What are the key properties of N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide?
N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide has a molecular weight of 236.28 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 102248514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).