[2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone

C24H25N3O2 — CID 56881287

IUPAC[2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCOC(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H25N3O2/c1-18-23(15-25-17-26-18)24(28)27-12-13-29-21(16-27)14-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,15,17,21-22H,12-14,16H2,1H3
InChIKeyBPCHOTNLFRLQJC-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.85
Rot. Bonds5

About [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone

[2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone (PubChem CID 56881287) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone
PubChem CID56881287
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCOC(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H25N3O2/c1-18-23(15-25-17-26-18)24(28)27-12-13-29-21(16-27)14-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,15,17,21-22H,12-14,16H2,1H3
InChIKeyBPCHOTNLFRLQJC-UHFFFAOYSA-N
XLogP3.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone (CID 56881287) is [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone is Cc1ncncc1C(=O)N1CCOC(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is BPCHOTNLFRLQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-23(15-25-17-26-18)24(28)27-12-13-29-21(16-27)14-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,15,17,21-22H,12-14,16H2,1H3.
What are the key properties of [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone?
[2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 387.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-diphenylethyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56881287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).