5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one

C10H10BrN3O — CID 136984660

IUPAC5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc[nH]2)[nH]c(=O)c1Br
InChIInChI=1S/C10H10BrN3O/c1-2-6-8(11)10(15)14-9(13-6)7-4-3-5-12-7/h3-5,12H,2H2,1H3,(H,13,14,15)
InChIKeyVUTBMNORLOUENP-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.09
Rot. Bonds2

About 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one

5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136984660) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
PubChem CID136984660
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc[nH]2)[nH]c(=O)c1Br
InChIInChI=1S/C10H10BrN3O/c1-2-6-8(11)10(15)14-9(13-6)7-4-3-5-12-7/h3-5,12H,2H2,1H3,(H,13,14,15)
InChIKeyVUTBMNORLOUENP-UHFFFAOYSA-N
XLogP2.09
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one (CID 136984660) is 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one is CCc1nc(-c2ccc[nH]2)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is VUTBMNORLOUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-2-6-8(11)10(15)14-9(13-6)7-4-3-5-12-7/h3-5,12H,2H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 268.11 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136984660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).