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

C9H8Cl2N2O2 — CID 163365426

IUPAC4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine
SMILESCc1nc(Cl)c(CC2OC=CO2)c(Cl)n1
InChIInChI=1S/C9H8Cl2N2O2/c1-5-12-8(10)6(9(11)13-5)4-7-14-2-3-15-7/h2-3,7H,4H2,1H3
InChIKeyTXDRKUYOPXARBI-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.48
Rot. Bonds2

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

4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine (PubChem CID 163365426) has the molecular formula C9H8Cl2N2O2 and a molecular weight of 247.08 g/mol. Its IUPAC name is 4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine
PubChem CID163365426
Molecular FormulaC9H8Cl2N2O2
Molecular Weight247.08 g/mol
Exact Mass246.00
IUPAC Name4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine
SMILESCc1nc(Cl)c(CC2OC=CO2)c(Cl)n1
InChIInChI=1S/C9H8Cl2N2O2/c1-5-12-8(10)6(9(11)13-5)4-7-14-2-3-15-7/h2-3,7H,4H2,1H3
InChIKeyTXDRKUYOPXARBI-UHFFFAOYSA-N
XLogP2.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.48
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-ylmethyl)-2-methylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine (CID 163365426) is 4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine is Cc1nc(Cl)c(CC2OC=CO2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine?
The InChIKey is TXDRKUYOPXARBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2/c1-5-12-8(10)6(9(11)13-5)4-7-14-2-3-15-7/h2-3,7H,4H2,1H3.
What are the key properties of 4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine?
4,6-dichloro-5-(1,3-dioxol-2-ylmethyl)-2-methylpyrimidine has a molecular weight of 247.08 g/mol, XLogP of 2.48, 2 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-ylmethyl)-2-methylpyrimidine is sourced from PubChem (CID 163365426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).