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

C14H14ClN3O3 — CID 4622524

IUPAC3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCOCC2)[nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3/c15-10-1-3-11(4-2-10)18-13(19)9-12(16-14(18)20)17-5-7-21-8-6-17/h1-4,9H,5-8H2,(H,16,20)
InChIKeyYNVDDUSXDREWBL-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.02
Rot. Bonds2

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

3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (PubChem CID 4622524) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
PubChem CID4622524
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCOCC2)[nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3/c15-10-1-3-11(4-2-10)18-13(19)9-12(16-14(18)20)17-5-7-21-8-6-17/h1-4,9H,5-8H2,(H,16,20)
InChIKeyYNVDDUSXDREWBL-UHFFFAOYSA-N
XLogP1.02
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (CID 4622524) is 3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is O=c1cc(N2CCOCC2)[nH]c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The InChIKey is YNVDDUSXDREWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-10-1-3-11(4-2-10)18-13(19)9-12(16-14(18)20)17-5-7-21-8-6-17/h1-4,9H,5-8H2,(H,16,20).
What are the key properties of 3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione has a molecular weight of 307.74 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4622524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).