5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine

C15H20N8O2 — CID 46202651

IUPAC5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)
InChIKeyOHOQXZAUVZJVRL-UHFFFAOYSA-N
MW344.38 g/mol
LogP-0.42
Rot. Bonds3

About 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine

5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine (PubChem CID 46202651) has the molecular formula C15H20N8O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
PubChem CID46202651
Molecular FormulaC15H20N8O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)
InChIKeyOHOQXZAUVZJVRL-UHFFFAOYSA-N
XLogP-0.42
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine (CID 46202651) is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine?
The InChIKey is OHOQXZAUVZJVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18).
What are the key properties of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine?
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine has a molecular weight of 344.38 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 46202651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).