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

C7H6Cl2N2O2 — CID 87631921

IUPAC4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine
SMILESClc1cc(Cl)nc(C2COCO2)n1
InChIInChI=1S/C7H6Cl2N2O2/c8-5-1-6(9)11-7(10-5)4-2-12-3-13-4/h1,4H,2-3H2
InChIKeyOGDRYVWAJJQWJX-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.83
Rot. Bonds1

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

4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine (PubChem CID 87631921) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine
PubChem CID87631921
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine
SMILESClc1cc(Cl)nc(C2COCO2)n1
InChIInChI=1S/C7H6Cl2N2O2/c8-5-1-6(9)11-7(10-5)4-2-12-3-13-4/h1,4H,2-3H2
InChIKeyOGDRYVWAJJQWJX-UHFFFAOYSA-N
XLogP1.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine (CID 87631921) is 4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine is Clc1cc(Cl)nc(C2COCO2)n1.
What is the InChIKey of 4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine?
The InChIKey is OGDRYVWAJJQWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c8-5-1-6(9)11-7(10-5)4-2-12-3-13-4/h1,4H,2-3H2.
What are the key properties of 4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine?
4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine has a molecular weight of 221.04 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1,3-dioxolan-4-yl)pyrimidine is sourced from PubChem (CID 87631921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).