N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide

C7H10N6O — CID 22222770

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C7H10N6O/c1-3(2)4(14)10-7-12-5(8)11-6(9)13-7/h1H2,2H3,(H5,8,9,10,11,12,13,14)
InChIKeyUIMBTQACRRGERV-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.45
Rot. Bonds2

About N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide

N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide (PubChem CID 22222770) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide
PubChem CID22222770
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C7H10N6O/c1-3(2)4(14)10-7-12-5(8)11-6(9)13-7/h1H2,2H3,(H5,8,9,10,11,12,13,14)
InChIKeyUIMBTQACRRGERV-UHFFFAOYSA-N
XLogP-0.45
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
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-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide (CID 22222770) is N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1nc(N)nc(N)n1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide?
The InChIKey is UIMBTQACRRGERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-3(2)4(14)10-7-12-5(8)11-6(9)13-7/h1H2,2H3,(H5,8,9,10,11,12,13,14).
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide?
N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide has a molecular weight of 194.20 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 22222770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).