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

C13H22N2O2 — CID 136963738

IUPAC2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(C)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H22N2O2/c1-7-13(5,17-6)12-14-9(4)10(8(2)3)11(16)15-12/h8H,7H2,1-6H3,(H,14,15,16)
InChIKeyOWBGPAVOIPSLCD-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.47
Rot. Bonds4

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

2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136963738) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136963738
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(C)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H22N2O2/c1-7-13(5,17-6)12-14-9(4)10(8(2)3)11(16)15-12/h8H,7H2,1-6H3,(H,14,15,16)
InChIKeyOWBGPAVOIPSLCD-UHFFFAOYSA-N
XLogP2.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 136963738) is 2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is CCC(C)(OC)c1nc(C)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OWBGPAVOIPSLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-7-13(5,17-6)12-14-9(4)10(8(2)3)11(16)15-12/h8H,7H2,1-6H3,(H,14,15,16).
What are the key properties of 2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).