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

C13H19N3O3 — CID 136783255

IUPAC2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC(CO)O1
InChIInChI=1S/C13H19N3O3/c1-8-5-16(6-10(7-17)19-8)11-4-12(18)15-13(14-11)9-2-3-9/h4,8-10,17H,2-3,5-7H2,1H3,(H,14,15,18)
InChIKeyVGZSGHSIHWFPPQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.23
Rot. Bonds3

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

2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136783255) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136783255
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC(CO)O1
InChIInChI=1S/C13H19N3O3/c1-8-5-16(6-10(7-17)19-8)11-4-12(18)15-13(14-11)9-2-3-9/h4,8-10,17H,2-3,5-7H2,1H3,(H,14,15,18)
InChIKeyVGZSGHSIHWFPPQ-UHFFFAOYSA-N
XLogP0.23
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 136783255) is 2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC(CO)O1.
What is the InChIKey of 2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is VGZSGHSIHWFPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-16(6-10(7-17)19-8)11-4-12(18)15-13(14-11)9-2-3-9/h4,8-10,17H,2-3,5-7H2,1H3,(H,14,15,18).
What are the key properties of 2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136783255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).