(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide

C15H23N7O2 — CID 714962

IUPAC(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide
SMILESCC(C)N(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H23N7O2/c1-12(2)22(11-16)15-18-13(20-3-7-23-8-4-20)17-14(19-15)21-5-9-24-10-6-21/h12H,3-10H2,1-2H3
InChIKeyWRXRNPUCCPZFQH-UHFFFAOYSA-N
MW333.40 g/mol
LogP0.24
Rot. Bonds4

About (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide

(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide (PubChem CID 714962) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide.

Molecular Properties

Compound Name(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide
PubChem CID714962
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide
SMILESCC(C)N(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H23N7O2/c1-12(2)22(11-16)15-18-13(20-3-7-23-8-4-20)17-14(19-15)21-5-9-24-10-6-21/h12H,3-10H2,1-2H3
InChIKeyWRXRNPUCCPZFQH-UHFFFAOYSA-N
XLogP0.24
TPSA90.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide?
The IUPAC name of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide (CID 714962) is (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide.
What is the SMILES notation for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide?
The canonical SMILES for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide is CC(C)N(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide?
The InChIKey is WRXRNPUCCPZFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-12(2)22(11-16)15-18-13(20-3-7-23-8-4-20)17-14(19-15)21-5-9-24-10-6-21/h12H,3-10H2,1-2H3.
What are the key properties of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide?
(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide has a molecular weight of 333.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-propan-2-ylcyanamide is sourced from PubChem (CID 714962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).