4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine

C14H12Cl2N2O2 — CID 58075790

IUPAC4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
SMILESClc1nc(Cl)c(C2OCCO2)c(Cc2ccccc2)n1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-11(13-19-6-7-20-13)10(17-14(16)18-12)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyVPMHZALLGWQRJK-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.42
Rot. Bonds3

About 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine

4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine (PubChem CID 58075790) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
PubChem CID58075790
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
SMILESClc1nc(Cl)c(C2OCCO2)c(Cc2ccccc2)n1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-11(13-19-6-7-20-13)10(17-14(16)18-12)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyVPMHZALLGWQRJK-UHFFFAOYSA-N
XLogP3.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-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 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
The IUPAC name of 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine (CID 58075790) is 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine.
What is the SMILES notation for 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
The canonical SMILES for 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine is Clc1nc(Cl)c(C2OCCO2)c(Cc2ccccc2)n1.
What is the InChIKey of 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
The InChIKey is VPMHZALLGWQRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-12-11(13-19-6-7-20-13)10(17-14(16)18-12)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2.
What are the key properties of 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine has a molecular weight of 311.17 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine is sourced from PubChem (CID 58075790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).