2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one

C21H23N5O3 — CID 7386765

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C21H23N5O3/c1-15-12-16(2)26(23-15)21-22-18(17-6-4-3-5-7-17)13-19(27)25(21)14-20(28)24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyGGTDQLSSDUISHY-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.57
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one

2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one (PubChem CID 7386765) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one
PubChem CID7386765
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C21H23N5O3/c1-15-12-16(2)26(23-15)21-22-18(17-6-4-3-5-7-17)13-19(27)25(21)14-20(28)24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyGGTDQLSSDUISHY-UHFFFAOYSA-N
XLogP1.57
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one (CID 7386765) is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one is Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one?
The InChIKey is GGTDQLSSDUISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15-12-16(2)26(23-15)21-22-18(17-6-4-3-5-7-17)13-19(27)25(21)14-20(28)24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one?
2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one has a molecular weight of 393.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one is sourced from PubChem (CID 7386765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).