methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate

C11H20N6O — CID 616932

IUPACmethyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate
SMILES[H]/N=C(\OC)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C11H20N6O/c1-6(2)13-10-15-9(8(12)18-5)16-11(17-10)14-7(3)4/h6-7,12H,1-5H3,(H2,13,14,15,16,17)/b12-8-
InChIKeyHHXHPLBYYRTIQU-WQLSENKSSA-N
MW252.32 g/mol
LogP1.48
Rot. Bonds5

About methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate

methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate (PubChem CID 616932) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate.

Molecular Properties

Compound Namemethyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate
PubChem CID616932
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Namemethyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate
SMILES[H]/N=C(\OC)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C11H20N6O/c1-6(2)13-10-15-9(8(12)18-5)16-11(17-10)14-7(3)4/h6-7,12H,1-5H3,(H2,13,14,15,16,17)/b12-8-
InChIKeyHHXHPLBYYRTIQU-WQLSENKSSA-N
XLogP1.48
TPSA95.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate?
The IUPAC name of methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate (CID 616932) is methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate.
What is the SMILES notation for methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate?
The canonical SMILES for methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate is [H]/N=C(\OC)c1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate?
The InChIKey is HHXHPLBYYRTIQU-WQLSENKSSA-N. The full InChI is InChI=1S/C11H20N6O/c1-6(2)13-10-15-9(8(12)18-5)16-11(17-10)14-7(3)4/h6-7,12H,1-5H3,(H2,13,14,15,16,17)/b12-8-.
What are the key properties of methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate?
methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate has a molecular weight of 252.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboximidate is sourced from PubChem (CID 616932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).