3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one

C22H22N4O3 — CID 59794202

IUPAC3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCc1ccccc1C(=O)C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCO1
InChIInChI=1S/C22H22N4O3/c1-15-5-3-4-6-17(15)21(28)19-14-26(11-12-29-19)22-24-18(13-20(27)25(22)2)16-7-9-23-10-8-16/h3-10,13,19H,11-12,14H2,1-2H3
InChIKeyCQNRYPYVKDYSMD-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.24
Rot. Bonds4

About 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59794202) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59794202
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCc1ccccc1C(=O)C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCO1
InChIInChI=1S/C22H22N4O3/c1-15-5-3-4-6-17(15)21(28)19-14-26(11-12-29-19)22-24-18(13-20(27)25(22)2)16-7-9-23-10-8-16/h3-10,13,19H,11-12,14H2,1-2H3
InChIKeyCQNRYPYVKDYSMD-UHFFFAOYSA-N
XLogP2.24
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (CID 59794202) is 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is Cc1ccccc1C(=O)C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCO1.
What is the InChIKey of 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is CQNRYPYVKDYSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-5-3-4-6-17(15)21(28)19-14-26(11-12-29-19)22-24-18(13-20(27)25(22)2)16-7-9-23-10-8-16/h3-10,13,19H,11-12,14H2,1-2H3.
What are the key properties of 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 390.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59794202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).