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

C7H5Cl3N2O2 — CID 58075387

IUPAC2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine
SMILESClc1nc(Cl)c(C2OCCO2)c(Cl)n1
InChIInChI=1S/C7H5Cl3N2O2/c8-4-3(6-13-1-2-14-6)5(9)12-7(10)11-4/h6H,1-2H2
InChIKeyASUKWSIOTKPXTH-UHFFFAOYSA-N
MW255.49 g/mol
LogP2.48
Rot. Bonds1

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

2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine (PubChem CID 58075387) has the molecular formula C7H5Cl3N2O2 and a molecular weight of 255.49 g/mol. Its IUPAC name is 2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine
PubChem CID58075387
Molecular FormulaC7H5Cl3N2O2
Molecular Weight255.49 g/mol
Exact Mass253.94
IUPAC Name2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine
SMILESClc1nc(Cl)c(C2OCCO2)c(Cl)n1
InChIInChI=1S/C7H5Cl3N2O2/c8-4-3(6-13-1-2-14-6)5(9)12-7(10)11-4/h6H,1-2H2
InChIKeyASUKWSIOTKPXTH-UHFFFAOYSA-N
XLogP2.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
CID 59594440
6-Chloro-5-(1,3-dioxolan-2-yl)pyrimidin-4-amine
CID 165759007
2,4,6-Trichloro-5-(1,3-dioxolan-4-yl)pyrimidine
CID 87700910
4,6-Dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine
CID 138750676
4,6-Dichloro-5-(1,3-dioxol-2-yl)pyrimidine
CID 141107711
2,4,6-Trichloro-5-(1,3-dioxol-2-yl)pyrimidine
CID 141289893
4,6-Dichloro-5-(1,3-dioxan-2-yl)pyrimidine
CID 156784634
4,6-Dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine
CID 163362169
4,6-Dichloro-5-(dimethoxymethyl)pyrimidine
CID 165406605
2,4,6-Trichloro-5-(dimethoxymethyl)pyrimidine
CID 167497568
4,6-Dichloro-5-(1,3-dioxolan-2-yl)-2-ethoxypyrimidine
CID 172365546
4,6-Dichloro-5-(1,3-dioxolan-2-yl)-2-methylsulfanylpyrimidine
CID 172365555

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
The IUPAC name of 2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine (CID 58075387) is 2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine.
What is the SMILES notation for 2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
The canonical SMILES for 2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine is Clc1nc(Cl)c(C2OCCO2)c(Cl)n1.
What is the InChIKey of 2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
The InChIKey is ASUKWSIOTKPXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3N2O2/c8-4-3(6-13-1-2-14-6)5(9)12-7(10)11-4/h6H,1-2H2.
What are the key properties of 2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine?
2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine has a molecular weight of 255.49 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine is sourced from PubChem (CID 58075387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).