1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone

C17H19N3O3 — CID 697265

IUPAC1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H19N3O3/c1-12-11-16(19-17(18-12)20-7-9-22-10-8-20)23-15-5-3-14(4-6-15)13(2)21/h3-6,11H,7-10H2,1-2H3
InChIKeyOGLQRHNNTLAZKV-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.62
Rot. Bonds4

About 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone

1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone (PubChem CID 697265) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone
PubChem CID697265
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H19N3O3/c1-12-11-16(19-17(18-12)20-7-9-22-10-8-20)23-15-5-3-14(4-6-15)13(2)21/h3-6,11H,7-10H2,1-2H3
InChIKeyOGLQRHNNTLAZKV-UHFFFAOYSA-N
XLogP2.62
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone (CID 697265) is 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone is CC(=O)c1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone?
The InChIKey is OGLQRHNNTLAZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-11-16(19-17(18-12)20-7-9-22-10-8-20)23-15-5-3-14(4-6-15)13(2)21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone?
1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone has a molecular weight of 313.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 697265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).