5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one

C10H13Cl2N3O2 — CID 114583031

IUPAC5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCOC(Cn2cnc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C10H13Cl2N3O2/c1-14-2-3-17-7(4-14)5-15-6-13-9(12)8(11)10(15)16/h6-7H,2-5H2,1H3
InChIKeyPPUOVLWBCZKRTE-UHFFFAOYSA-N
MW278.14 g/mol
LogP0.88
Rot. Bonds2

About 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one

5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 114583031) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID114583031
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCOC(Cn2cnc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C10H13Cl2N3O2/c1-14-2-3-17-7(4-14)5-15-6-13-9(12)8(11)10(15)16/h6-7H,2-5H2,1H3
InChIKeyPPUOVLWBCZKRTE-UHFFFAOYSA-N
XLogP0.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182134
5,6-Dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455822
5,6-Dichloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455823
5,6-Dichloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 113604323
5,6-Dichloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
CID 113604343
6-Chloro-3-[(4-ethylmorpholin-2-yl)methyl]-5-methoxypyrimidin-4-one
CID 113604660
6-Chloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114582165
6-Chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114582166
6-Chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114582389
5,6-Dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114582884
3-(2-Butoxyethyl)-5,6-dichloropyrimidin-4-one
CID 114582916
5,6-Dichloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 114582957

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 114583031) is 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one is CN1CCOC(Cn2cnc(Cl)c(Cl)c2=O)C1.
What is the InChIKey of 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is PPUOVLWBCZKRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-14-2-3-17-7(4-14)5-15-6-13-9(12)8(11)10(15)16/h6-7H,2-5H2,1H3.
What are the key properties of 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 278.14 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114583031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).