[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide

C11H16N6O — CID 42562484

IUPAC[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
SMILESCOc1nc(NC2CC2)nc(N(C#N)C(C)C)n1
InChIInChI=1S/C11H16N6O/c1-7(2)17(6-12)10-14-9(13-8-4-5-8)15-11(16-10)18-3/h7-8H,4-5H2,1-3H3,(H,13,14,15,16)
InChIKeyREIYKQQEUDKTHY-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.15
Rot. Bonds5

About [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide

[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide (PubChem CID 42562484) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide.

Molecular Properties

Compound Name[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
PubChem CID42562484
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
SMILESCOc1nc(NC2CC2)nc(N(C#N)C(C)C)n1
InChIInChI=1S/C11H16N6O/c1-7(2)17(6-12)10-14-9(13-8-4-5-8)15-11(16-10)18-3/h7-8H,4-5H2,1-3H3,(H,13,14,15,16)
InChIKeyREIYKQQEUDKTHY-UHFFFAOYSA-N
XLogP1.15
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide?
The IUPAC name of [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide (CID 42562484) is [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide.
What is the SMILES notation for [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide?
The canonical SMILES for [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide is COc1nc(NC2CC2)nc(N(C#N)C(C)C)n1.
What is the InChIKey of [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide?
The InChIKey is REIYKQQEUDKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7(2)17(6-12)10-14-9(13-8-4-5-8)15-11(16-10)18-3/h7-8H,4-5H2,1-3H3,(H,13,14,15,16).
What are the key properties of [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide?
[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide has a molecular weight of 248.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]-propan-2-ylcyanamide is sourced from PubChem (CID 42562484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).