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

C10H14ClN3O2 — CID 114582165

IUPAC6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCOC(Cn2cnc(Cl)cc2=O)C1
InChIInChI=1S/C10H14ClN3O2/c1-13-2-3-16-8(5-13)6-14-7-12-9(11)4-10(14)15/h4,7-8H,2-3,5-6H2,1H3
InChIKeyDIUIQGVGKSXMIV-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.23
Rot. Bonds2

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

6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 114582165) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID114582165
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCOC(Cn2cnc(Cl)cc2=O)C1
InChIInChI=1S/C10H14ClN3O2/c1-13-2-3-16-8(5-13)6-14-7-12-9(11)4-10(14)15/h4,7-8H,2-3,5-6H2,1H3
InChIKeyDIUIQGVGKSXMIV-UHFFFAOYSA-N
XLogP0.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.23
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-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 114582165) is 6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one is CN1CCOC(Cn2cnc(Cl)cc2=O)C1.
What is the InChIKey of 6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is DIUIQGVGKSXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-13-2-3-16-8(5-13)6-14-7-12-9(11)4-10(14)15/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 243.69 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).