3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione

C16H18ClN3O3 — CID 4622461

IUPAC3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C16H18ClN3O3/c1-10-8-19(9-11(2)23-10)14-7-15(21)20(16(22)18-14)13-6-4-3-5-12(13)17/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)
InChIKeySKGDJLWCDULXDE-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.79
Rot. Bonds2

About 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione

3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione (PubChem CID 4622461) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione
PubChem CID4622461
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C16H18ClN3O3/c1-10-8-19(9-11(2)23-10)14-7-15(21)20(16(22)18-14)13-6-4-3-5-12(13)17/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)
InChIKeySKGDJLWCDULXDE-UHFFFAOYSA-N
XLogP1.79
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione (CID 4622461) is 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione is CC1CN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC(C)O1.
What is the InChIKey of 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is SKGDJLWCDULXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-10-8-19(9-11(2)23-10)14-7-15(21)20(16(22)18-14)13-6-4-3-5-12(13)17/h3-7,10-11H,8-9H2,1-2H3,(H,18,22).
What are the key properties of 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione?
3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 335.79 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4622461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).