5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one

C17H21N3O4 — CID 174595005

IUPAC5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(N2CCOCC2)[nH]c(=O)c1CCO
InChIInChI=1S/C17H21N3O4/c1-23-14-5-3-2-4-12(14)15-13(6-9-21)16(22)19-17(18-15)20-7-10-24-11-8-20/h2-5,21H,6-11H2,1H3,(H,18,19,22)
InChIKeyNZTZGECHZTXMLQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.82
Rot. Bonds5

About 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 174595005) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID174595005
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(N2CCOCC2)[nH]c(=O)c1CCO
InChIInChI=1S/C17H21N3O4/c1-23-14-5-3-2-4-12(14)15-13(6-9-21)16(22)19-17(18-15)20-7-10-24-11-8-20/h2-5,21H,6-11H2,1H3,(H,18,19,22)
InChIKeyNZTZGECHZTXMLQ-UHFFFAOYSA-N
XLogP0.82
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 174595005) is 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one is COc1ccccc1-c1nc(N2CCOCC2)[nH]c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is NZTZGECHZTXMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-23-14-5-3-2-4-12(14)15-13(6-9-21)16(22)19-17(18-15)20-7-10-24-11-8-20/h2-5,21H,6-11H2,1H3,(H,18,19,22).
What are the key properties of 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 331.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 174595005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).