5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

C13H15BrN2O2 — CID 136741734

IUPAC5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1ccoc1-c1nc(CC(C)C)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H15BrN2O2/c1-7(2)6-9-10(14)13(17)16-12(15-9)11-8(3)4-5-18-11/h4-5,7H,6H2,1-3H3,(H,15,16,17)
InChIKeyRUCDIAIUNVHTJF-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.30
Rot. Bonds3

About 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 136741734) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID136741734
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1ccoc1-c1nc(CC(C)C)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H15BrN2O2/c1-7(2)6-9-10(14)13(17)16-12(15-9)11-8(3)4-5-18-11/h4-5,7H,6H2,1-3H3,(H,15,16,17)
InChIKeyRUCDIAIUNVHTJF-UHFFFAOYSA-N
XLogP3.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (CID 136741734) is 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is Cc1ccoc1-c1nc(CC(C)C)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is RUCDIAIUNVHTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-7(2)6-9-10(14)13(17)16-12(15-9)11-8(3)4-5-18-11/h4-5,7H,6H2,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 311.18 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).