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

C8H6Cl2N2O2 — CID 163362169

IUPAC4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)c(C2OC=CO2)c(Cl)n1
InChIInChI=1S/C8H6Cl2N2O2/c1-4-11-6(9)5(7(10)12-4)8-13-2-3-14-8/h2-3,8H,1H3
InChIKeyHRMUBTFNFHIFSV-UHFFFAOYSA-N
MW233.05 g/mol
LogP2.61
Rot. Bonds1

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

4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine (PubChem CID 163362169) has the molecular formula C8H6Cl2N2O2 and a molecular weight of 233.05 g/mol. Its IUPAC name is 4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine
PubChem CID163362169
Molecular FormulaC8H6Cl2N2O2
Molecular Weight233.05 g/mol
Exact Mass231.98
IUPAC Name4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)c(C2OC=CO2)c(Cl)n1
InChIInChI=1S/C8H6Cl2N2O2/c1-4-11-6(9)5(7(10)12-4)8-13-2-3-14-8/h2-3,8H,1H3
InChIKeyHRMUBTFNFHIFSV-UHFFFAOYSA-N
XLogP2.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 52.61
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)-2-methylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine (CID 163362169) is 4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine is Cc1nc(Cl)c(C2OC=CO2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine?
The InChIKey is HRMUBTFNFHIFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O2/c1-4-11-6(9)5(7(10)12-4)8-13-2-3-14-8/h2-3,8H,1H3.
What are the key properties of 4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine?
4,6-dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine has a molecular weight of 233.05 g/mol, XLogP of 2.61, 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)-2-methylpyrimidine is sourced from PubChem (CID 163362169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).