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

C11H16ClN3O2 — CID 114582166

IUPAC6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCCN1CCOC(Cn2cnc(Cl)cc2=O)C1
InChIInChI=1S/C11H16ClN3O2/c1-2-14-3-4-17-9(6-14)7-15-8-13-10(12)5-11(15)16/h5,8-9H,2-4,6-7H2,1H3
InChIKeySRJXDJZGFIHZKL-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.62
Rot. Bonds3

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

6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 114582166) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID114582166
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCCN1CCOC(Cn2cnc(Cl)cc2=O)C1
InChIInChI=1S/C11H16ClN3O2/c1-2-14-3-4-17-9(6-14)7-15-8-13-10(12)5-11(15)16/h5,8-9H,2-4,6-7H2,1H3
InChIKeySRJXDJZGFIHZKL-UHFFFAOYSA-N
XLogP0.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 114582166) is 6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one is CCN1CCOC(Cn2cnc(Cl)cc2=O)C1.
What is the InChIKey of 6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is SRJXDJZGFIHZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-14-3-4-17-9(6-14)7-15-8-13-10(12)5-11(15)16/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 257.72 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).