5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one

C12H20N2O3 — CID 136983389

IUPAC5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C12H20N2O3/c1-5-12(3,17-4)11-13-8(2)9(6-7-15)10(16)14-11/h15H,5-7H2,1-4H3,(H,13,14,16)
InChIKeyWJOGXLBXXFEAEU-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.88
Rot. Bonds5

About 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136983389) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136983389
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C12H20N2O3/c1-5-12(3,17-4)11-13-8(2)9(6-7-15)10(16)14-11/h15H,5-7H2,1-4H3,(H,13,14,16)
InChIKeyWJOGXLBXXFEAEU-UHFFFAOYSA-N
XLogP0.88
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one (CID 136983389) is 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one is CCC(C)(OC)c1nc(C)c(CCO)c(=O)[nH]1.
What is the InChIKey of 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WJOGXLBXXFEAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-12(3,17-4)11-13-8(2)9(6-7-15)10(16)14-11/h15H,5-7H2,1-4H3,(H,13,14,16).
What are the key properties of 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 240.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136983389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).