2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

C11H17N3O3 — CID 136844269

IUPAC2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(CCO)CCO2)n1
InChIInChI=1S/C11H17N3O3/c1-8-6-10(16)13-11(12-8)9-7-14(2-4-15)3-5-17-9/h6,9,15H,2-5,7H2,1H3,(H,12,13,16)
InChIKeyLARFCGCLUKHZQL-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.56
Rot. Bonds3

About 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136844269) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136844269
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(CCO)CCO2)n1
InChIInChI=1S/C11H17N3O3/c1-8-6-10(16)13-11(12-8)9-7-14(2-4-15)3-5-17-9/h6,9,15H,2-5,7H2,1H3,(H,12,13,16)
InChIKeyLARFCGCLUKHZQL-UHFFFAOYSA-N
XLogP-0.56
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 136844269) is 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CN(CCO)CCO2)n1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LARFCGCLUKHZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-6-10(16)13-11(12-8)9-7-14(2-4-15)3-5-17-9/h6,9,15H,2-5,7H2,1H3,(H,12,13,16).
What are the key properties of 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136844269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).