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

C13H19N3O3 — CID 102635338

IUPAC2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1CNCC(COc2cc(=O)[nH]c(C3CC3)n2)O1
InChIInChI=1S/C13H19N3O3/c1-8-5-14-6-10(19-8)7-18-12-4-11(17)15-13(16-12)9-2-3-9/h4,8-10,14H,2-3,5-7H2,1H3,(H,15,16,17)
InChIKeyQVSBKSVAGFCYNN-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.40
Rot. Bonds4

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

2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 102635338) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID102635338
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1CNCC(COc2cc(=O)[nH]c(C3CC3)n2)O1
InChIInChI=1S/C13H19N3O3/c1-8-5-14-6-10(19-8)7-18-12-4-11(17)15-13(16-12)9-2-3-9/h4,8-10,14H,2-3,5-7H2,1H3,(H,15,16,17)
InChIKeyQVSBKSVAGFCYNN-UHFFFAOYSA-N
XLogP0.40
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634872
2-ethyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635013
4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241378
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
2-cyclopropyl-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241413
2-cyclopropyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241479
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 104939639
4-piperidin-4-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604861

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 102635338) is 2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is CC1CNCC(COc2cc(=O)[nH]c(C3CC3)n2)O1.
What is the InChIKey of 2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is QVSBKSVAGFCYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-14-6-10(19-8)7-18-12-4-11(17)15-13(16-12)9-2-3-9/h4,8-10,14H,2-3,5-7H2,1H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 102635338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).