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

C20H25N3O4 — CID 95476452

IUPAC5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCO[C@@H](CCCc3ccccc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C20H25N3O4/c1-15-12-23(20(26)21-19(15)25)14-18(24)22-10-11-27-17(13-22)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,12,17H,5,8-11,13-14H2,1H3,(H,21,25,26)/t17-/m0/s1
InChIKeySHMPXHNGVPURJX-KRWDZBQOSA-N
MW371.44 g/mol
LogP1.10
Rot. Bonds6

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

5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 95476452) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione
PubChem CID95476452
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCO[C@@H](CCCc3ccccc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C20H25N3O4/c1-15-12-23(20(26)21-19(15)25)14-18(24)22-10-11-27-17(13-22)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,12,17H,5,8-11,13-14H2,1H3,(H,21,25,26)/t17-/m0/s1
InChIKeySHMPXHNGVPURJX-KRWDZBQOSA-N
XLogP1.10
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione (CID 95476452) is 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCO[C@@H](CCCc3ccccc3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione?
The InChIKey is SHMPXHNGVPURJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15-12-23(20(26)21-19(15)25)14-18(24)22-10-11-27-17(13-22)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,12,17H,5,8-11,13-14H2,1H3,(H,21,25,26)/t17-/m0/s1.
What are the key properties of 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 95476452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).