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

C14H19N7O3 — CID 122658861

IUPAC5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1
InChIInChI=1S/C14H19N7O3/c15-12-16-9-10(24-12)11-17-13(20-1-5-22-6-2-20)19-14(18-11)21-3-7-23-8-4-21/h9H,1-8H2,(H2,15,16)
InChIKeyBBQHBLPSSJFFCI-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.22
Rot. Bonds3

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

5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine (PubChem CID 122658861) has the molecular formula C14H19N7O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine
PubChem CID122658861
Molecular FormulaC14H19N7O3
Molecular Weight333.35 g/mol
Exact Mass333.15
IUPAC Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1
InChIInChI=1S/C14H19N7O3/c15-12-16-9-10(24-12)11-17-13(20-1-5-22-6-2-20)19-14(18-11)21-3-7-23-8-4-21/h9H,1-8H2,(H2,15,16)
InChIKeyBBQHBLPSSJFFCI-UHFFFAOYSA-N
XLogP-0.22
TPSA115.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.22
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)-1,3-oxazol-2-amine?
The IUPAC name of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine (CID 122658861) is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1.
What is the InChIKey of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine?
The InChIKey is BBQHBLPSSJFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O3/c15-12-16-9-10(24-12)11-17-13(20-1-5-22-6-2-20)19-14(18-11)21-3-7-23-8-4-21/h9H,1-8H2,(H2,15,16).
What are the key properties of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine?
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-oxazol-2-amine has a molecular weight of 333.35 g/mol, XLogP of -0.22, 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)-1,3-oxazol-2-amine is sourced from PubChem (CID 122658861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).