6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione

C20H25N3O4 — CID 56867014

IUPAC6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C20H25N3O4/c1-14-17(19(25)22-20(26)21-14)12-18(24)23-10-11-27-16(13-23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H2,21,22,25,26)
InChIKeyZLELGJHUDXUKKU-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.16
Rot. Bonds6

About 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56867014) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID56867014
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C20H25N3O4/c1-14-17(19(25)22-20(26)21-14)12-18(24)23-10-11-27-16(13-23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H2,21,22,25,26)
InChIKeyZLELGJHUDXUKKU-UHFFFAOYSA-N
XLogP1.16
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 56867014) is 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCOC(CCCc2ccccc2)C1.
What is the InChIKey of 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZLELGJHUDXUKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-17(19(25)22-20(26)21-14)12-18(24)23-10-11-27-16(13-23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H2,21,22,25,26).
What are the key properties of 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-oxo-2-[2-(3-phenylpropyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56867014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).