5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one

C11H15BrClN3O2 — CID 114583459

IUPAC5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCCN1CCOC(Cn2cnc(Cl)c(Br)c2=O)C1
InChIInChI=1S/C11H15BrClN3O2/c1-2-15-3-4-18-8(5-15)6-16-7-14-10(13)9(12)11(16)17/h7-8H,2-6H2,1H3
InChIKeyTWBQGJGZPQUDMU-UHFFFAOYSA-N
MW336.62 g/mol
LogP1.38
Rot. Bonds3

About 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one

5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 114583459) has the molecular formula C11H15BrClN3O2 and a molecular weight of 336.62 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID114583459
Molecular FormulaC11H15BrClN3O2
Molecular Weight336.62 g/mol
Exact Mass335.00
IUPAC Name5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCCN1CCOC(Cn2cnc(Cl)c(Br)c2=O)C1
InChIInChI=1S/C11H15BrClN3O2/c1-2-15-3-4-18-8(5-15)6-16-7-14-10(13)9(12)11(16)17/h7-8H,2-6H2,1H3
InChIKeyTWBQGJGZPQUDMU-UHFFFAOYSA-N
XLogP1.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114386480
5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583244
1-[(4-ethylmorpholin-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595470
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
CID 116620880
9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine
CID 79182824
6-chloro-5-methoxy-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114585446
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114400968
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine
CID 114707763
5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136958124

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 114583459) is 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one is CCN1CCOC(Cn2cnc(Cl)c(Br)c2=O)C1.
What is the InChIKey of 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is TWBQGJGZPQUDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O2/c1-2-15-3-4-18-8(5-15)6-16-7-14-10(13)9(12)11(16)17/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 336.62 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114583459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).