5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one

C11H17N3O2 — CID 135402562

IUPAC5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-3-9-8(2)12-11(13-10(9)15)14-4-6-16-7-5-14/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyVMLIAWOVWDCAFH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.48
Rot. Bonds2

About 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135402562) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135402562
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-3-9-8(2)12-11(13-10(9)15)14-4-6-16-7-5-14/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyVMLIAWOVWDCAFH-UHFFFAOYSA-N
XLogP0.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135402562) is 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is VMLIAWOVWDCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9-8(2)12-11(13-10(9)15)14-4-6-16-7-5-14/h3-7H2,1-2H3,(H,12,13,15).
What are the key properties of 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135402562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).