5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione

C8H10ClN3O3 — CID 23648503

IUPAC5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(N2CCOCC2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C8H10ClN3O3/c9-5-6(10-8(14)11-7(5)13)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14)
InChIKeyXNTFHFBBZXDZLD-UHFFFAOYSA-N
MW231.64 g/mol
LogP-0.45
Rot. Bonds1

About 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione

5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (PubChem CID 23648503) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
PubChem CID23648503
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(N2CCOCC2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C8H10ClN3O3/c9-5-6(10-8(14)11-7(5)13)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14)
InChIKeyXNTFHFBBZXDZLD-UHFFFAOYSA-N
XLogP-0.45
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-methyl-5-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 761461
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137130492
5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 1249876
4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid
CID 83868980
2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile
CID 15005318
6-morpholin-4-yl-7,9-dihydropurin-8-one
CID 158639391
3-morpholin-4-yl-4-sulfanylpyrrole-2,5-dione
CID 175032332
6-hydroxy-5-[3-(4-morpholin-4-ylphenyl)propa-1,2-dienyl]-1H-pyrimidine-2,4-dione
CID 90776638
5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 82512056
6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 86575317
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (CID 23648503) is 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is O=c1[nH]c(N2CCOCC2)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The InChIKey is XNTFHFBBZXDZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c9-5-6(10-8(14)11-7(5)13)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14).
What are the key properties of 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione has a molecular weight of 231.64 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).