4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one

C22H24N6O3 — CID 127250547

IUPAC4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCOC(c3cccc(-c4cncnc4)n3)C2)c(=O)n1
InChIInChI=1S/C22H24N6O3/c1-15-10-16(2)28(22(30)25-15)7-6-21(29)27-8-9-31-20(13-27)19-5-3-4-18(26-19)17-11-23-14-24-12-17/h3-5,10-12,14,20H,6-9,13H2,1-2H3
InChIKeyUKORTIVSYHOPPW-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.70
Rot. Bonds5

About 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one

4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one (PubChem CID 127250547) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one
PubChem CID127250547
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCOC(c3cccc(-c4cncnc4)n3)C2)c(=O)n1
InChIInChI=1S/C22H24N6O3/c1-15-10-16(2)28(22(30)25-15)7-6-21(29)27-8-9-31-20(13-27)19-5-3-4-18(26-19)17-11-23-14-24-12-17/h3-5,10-12,14,20H,6-9,13H2,1-2H3
InChIKeyUKORTIVSYHOPPW-UHFFFAOYSA-N
XLogP1.70
TPSA103.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 127251522
phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 124940424
1H-pyrazol-5-yl-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 155983957
1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125011310
[2-(methylamino)-4-pyridinyl]-[(2R)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 125007616
4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one
CID 125011261
(2R)-4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
CID 124985772
4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124983863
1-[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124940912
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124989667
2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 125003543
4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one
CID 46989881

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one (CID 127250547) is 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one is Cc1cc(C)n(CCC(=O)N2CCOC(c3cccc(-c4cncnc4)n3)C2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one?
The InChIKey is UKORTIVSYHOPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-15-10-16(2)28(22(30)25-15)7-6-21(29)27-8-9-31-20(13-27)19-5-3-4-18(26-19)17-11-23-14-24-12-17/h3-5,10-12,14,20H,6-9,13H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one?
4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one has a molecular weight of 420.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one is sourced from PubChem (CID 127250547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).