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

C7H4Cl2N2O2 — CID 141107711

IUPAC4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine
SMILESClc1ncnc(Cl)c1C1OC=CO1
InChIInChI=1S/C7H4Cl2N2O2/c8-5-4(6(9)11-3-10-5)7-12-1-2-13-7/h1-3,7H
InChIKeyPJAGMWABZDNUKC-UHFFFAOYSA-N
MW219.03 g/mol
LogP2.30
Rot. Bonds1

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

4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine (PubChem CID 141107711) has the molecular formula C7H4Cl2N2O2 and a molecular weight of 219.03 g/mol. Its IUPAC name is 4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine
PubChem CID141107711
Molecular FormulaC7H4Cl2N2O2
Molecular Weight219.03 g/mol
Exact Mass217.96
IUPAC Name4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine
SMILESClc1ncnc(Cl)c1C1OC=CO1
InChIInChI=1S/C7H4Cl2N2O2/c8-5-4(6(9)11-3-10-5)7-12-1-2-13-7/h1-3,7H
InChIKeyPJAGMWABZDNUKC-UHFFFAOYSA-N
XLogP2.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine (CID 141107711) is 4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine is Clc1ncnc(Cl)c1C1OC=CO1.
What is the InChIKey of 4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine?
The InChIKey is PJAGMWABZDNUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O2/c8-5-4(6(9)11-3-10-5)7-12-1-2-13-7/h1-3,7H.
What are the key properties of 4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine?
4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine has a molecular weight of 219.03 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidine is sourced from PubChem (CID 141107711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).