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

C16H18ClN3O3 — CID 4116780

IUPAC5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCOCC2)c(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C16H18ClN3O3/c1-19-15(21)13(10-11-3-2-4-12(17)9-11)14(18-16(19)22)20-5-7-23-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,18,22)
InChIKeyWVIXHPIXCAXUGJ-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.15
Rot. Bonds3

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

5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (PubChem CID 4116780) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
PubChem CID4116780
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCOCC2)c(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C16H18ClN3O3/c1-19-15(21)13(10-11-3-2-4-12(17)9-11)14(18-16(19)22)20-5-7-23-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,18,22)
InChIKeyWVIXHPIXCAXUGJ-UHFFFAOYSA-N
XLogP1.15
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-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-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (CID 4116780) is 5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N2CCOCC2)c(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The InChIKey is WVIXHPIXCAXUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-19-15(21)13(10-11-3-2-4-12(17)9-11)14(18-16(19)22)20-5-7-23-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,18,22).
What are the key properties of 5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione has a molecular weight of 335.79 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4116780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).