5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one

C10H14ClN3O3 — CID 102635388

IUPAC5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1CNCC(COc2nc[nH]c(=O)c2Cl)O1
InChIInChI=1S/C10H14ClN3O3/c1-6-2-12-3-7(17-6)4-16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyQBHJMNRHBQDRTO-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.18
Rot. Bonds3

About 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one

5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 102635388) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID102635388
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1CNCC(COc2nc[nH]c(=O)c2Cl)O1
InChIInChI=1S/C10H14ClN3O3/c1-6-2-12-3-7(17-6)4-16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyQBHJMNRHBQDRTO-UHFFFAOYSA-N
XLogP0.18
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996
4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635254
5-chloro-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939636
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-iodo-1H-pyrimidin-6-one
CID 113632055
5-bromo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718889
5-methoxy-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718898
5-chloro-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586278
5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586306
5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586316
5-chloro-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586325
5-chloro-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586335
5-chloro-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586398

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 102635388) is 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is CC1CNCC(COc2nc[nH]c(=O)c2Cl)O1.
What is the InChIKey of 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is QBHJMNRHBQDRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-6-2-12-3-7(17-6)4-16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 259.69 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 102635388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).