bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine

C10H13BrN2OZn — CID 166561626

IUPACbromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine
SMILESCc1ncc(C2C[CH-]CCO2)cn1.[Zn+]Br
InChIInChI=1S/C10H13N2O.BrH.Zn/c1-8-11-6-9(7-12-8)10-4-2-3-5-13-10;;/h2,6-7,10H,3-5H2,1H3;1H;/q-1;;+2/p-1
InChIKeyJEUVXUGTYMLTMI-UHFFFAOYSA-M
MW322.52 g/mol
LogP2.68
Rot. Bonds1

About bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine

bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine (PubChem CID 166561626) has the molecular formula C10H13BrN2OZn and a molecular weight of 322.52 g/mol. Its IUPAC name is bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine.

Molecular Properties

Compound Namebromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine
PubChem CID166561626
Molecular FormulaC10H13BrN2OZn
Molecular Weight322.52 g/mol
Exact Mass319.95
IUPAC Namebromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine
SMILESCc1ncc(C2C[CH-]CCO2)cn1.[Zn+]Br
InChIInChI=1S/C10H13N2O.BrH.Zn/c1-8-11-6-9(7-12-8)10-4-2-3-5-13-10;;/h2,6-7,10H,3-5H2,1H3;1H;/q-1;;+2/p-1
InChIKeyJEUVXUGTYMLTMI-UHFFFAOYSA-M
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine 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 bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine?
The IUPAC name of bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine (CID 166561626) is bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine.
What is the SMILES notation for bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine?
The canonical SMILES for bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine is Cc1ncc(C2C[CH-]CCO2)cn1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine?
The InChIKey is JEUVXUGTYMLTMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13N2O.BrH.Zn/c1-8-11-6-9(7-12-8)10-4-2-3-5-13-10;;/h2,6-7,10H,3-5H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine?
bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine has a molecular weight of 322.52 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrimidine is sourced from PubChem (CID 166561626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).