2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

C14H24N2O2 — CID 136997880

IUPAC2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CC(C)C)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C14H24N2O2/c1-6-18-13(10(4)5)14-15-11(7-9(2)3)8-12(17)16-14/h8-10,13H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyCXWTYAPRQGYZBV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.70
Rot. Bonds6

About 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 136997880) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID136997880
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CC(C)C)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C14H24N2O2/c1-6-18-13(10(4)5)14-15-11(7-9(2)3)8-12(17)16-14/h8-10,13H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyCXWTYAPRQGYZBV-UHFFFAOYSA-N
XLogP2.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (CID 136997880) is 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is CCOC(c1nc(CC(C)C)cc(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is CXWTYAPRQGYZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-18-13(10(4)5)14-15-11(7-9(2)3)8-12(17)16-14/h8-10,13H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136997880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).