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

C16H22N6O2 — CID 71928814

IUPAC(4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3cnc(C)nc3CC)CCO2)n[nH]1
InChIInChI=1S/C16H22N6O2/c1-4-12-11(8-17-10(3)18-12)16(23)22-6-7-24-13(9-22)15-19-14(5-2)20-21-15/h8,13H,4-7,9H2,1-3H3,(H,19,20,21)
InChIKeyKPHVWJZPJXBLHB-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.24
Rot. Bonds4

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

(4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 71928814) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID71928814
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3cnc(C)nc3CC)CCO2)n[nH]1
InChIInChI=1S/C16H22N6O2/c1-4-12-11(8-17-10(3)18-12)16(23)22-6-7-24-13(9-22)15-19-14(5-2)20-21-15/h8,13H,4-7,9H2,1-3H3,(H,19,20,21)
InChIKeyKPHVWJZPJXBLHB-UHFFFAOYSA-N
XLogP1.24
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 71928814) is (4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCc1nc(C2CN(C(=O)c3cnc(C)nc3CC)CCO2)n[nH]1.
What is the InChIKey of (4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is KPHVWJZPJXBLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-4-12-11(8-17-10(3)18-12)16(23)22-6-7-24-13(9-22)15-19-14(5-2)20-21-15/h8,13H,4-7,9H2,1-3H3,(H,19,20,21).
What are the key properties of (4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71928814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).