2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal

C7H11N5O — CID 165489957

IUPAC2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal
SMILESCC(C)(C=O)c1nc(N)nc(N)n1
InChIInChI=1S/C7H11N5O/c1-7(2,3-13)4-10-5(8)12-6(9)11-4/h3H,1-2H3,(H4,8,9,10,11,12)
InChIKeyGFNAXCARAWBGCJ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.49
Rot. Bonds2

About 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal

2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal (PubChem CID 165489957) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal
PubChem CID165489957
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal
SMILESCC(C)(C=O)c1nc(N)nc(N)n1
InChIInChI=1S/C7H11N5O/c1-7(2,3-13)4-10-5(8)12-6(9)11-4/h3H,1-2H3,(H4,8,9,10,11,12)
InChIKeyGFNAXCARAWBGCJ-UHFFFAOYSA-N
XLogP-0.49
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal?
The IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal (CID 165489957) is 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal.
What is the SMILES notation for 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal?
The canonical SMILES for 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal is CC(C)(C=O)c1nc(N)nc(N)n1.
What is the InChIKey of 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal?
The InChIKey is GFNAXCARAWBGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-7(2,3-13)4-10-5(8)12-6(9)11-4/h3H,1-2H3,(H4,8,9,10,11,12).
What are the key properties of 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal?
2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal has a molecular weight of 181.20 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal is sourced from PubChem (CID 165489957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).