(4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C15H20N6O2 — CID 71928813

IUPAC(4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3cncnc3CC)CCO2)n[nH]1
InChIInChI=1S/C15H20N6O2/c1-3-11-10(7-16-9-17-11)15(22)21-5-6-23-12(8-21)14-18-13(4-2)19-20-14/h7,9,12H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyLDMDXDKUCREBEK-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.93
Rot. Bonds4

About (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

(4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 71928813) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID71928813
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3cncnc3CC)CCO2)n[nH]1
InChIInChI=1S/C15H20N6O2/c1-3-11-10(7-16-9-17-11)15(22)21-5-6-23-12(8-21)14-18-13(4-2)19-20-14/h7,9,12H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyLDMDXDKUCREBEK-UHFFFAOYSA-N
XLogP0.93
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 71928813) is (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCc1nc(C2CN(C(=O)c3cncnc3CC)CCO2)n[nH]1.
What is the InChIKey of (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is LDMDXDKUCREBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-11-10(7-16-9-17-11)15(22)21-5-6-23-12(8-21)14-18-13(4-2)19-20-14/h7,9,12H,3-6,8H2,1-2H3,(H,18,19,20).
What are the key properties of (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 316.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71928813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).