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

C8H8Cl2N2O2 — CID 138750676

IUPAC4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)c(C2OCCO2)c(Cl)n1
InChIInChI=1S/C8H8Cl2N2O2/c1-4-11-6(9)5(7(10)12-4)8-13-2-3-14-8/h8H,2-3H2,1H3
InChIKeyKWHOJGMFJHLVNN-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.14
Rot. Bonds1

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

4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine (PubChem CID 138750676) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine
PubChem CID138750676
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)c(C2OCCO2)c(Cl)n1
InChIInChI=1S/C8H8Cl2N2O2/c1-4-11-6(9)5(7(10)12-4)8-13-2-3-14-8/h8H,2-3H2,1H3
InChIKeyKWHOJGMFJHLVNN-UHFFFAOYSA-N
XLogP2.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.14
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-2-yl)pyrimidine
CID 58075387
4,6-Dichloro-5-(methoxymethyl)-2-methylpyrimidine
CID 138501748
(4,6-Dichloro-2-methylpyrimidin-5-yl)methyl acetate
CID 149941869
O-ethyl 4,6-dichloro-2-methylpyrimidine-5-carbothioate
CID 150241784
4,6-Dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine;4,6-dichloro-2-methylpyrimidine-5-carbaldehyde
CID 157434270
4,6-Dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine
CID 163362169
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
4,6-Dichloro-5-(1,3-dioxolan-2-yl)-2-(2-methoxyethoxy)pyrimidine
CID 172365588

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine (CID 138750676) is 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine is Cc1nc(Cl)c(C2OCCO2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine?
The InChIKey is KWHOJGMFJHLVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c1-4-11-6(9)5(7(10)12-4)8-13-2-3-14-8/h8H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine?
4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine has a molecular weight of 235.07 g/mol, XLogP of 2.14, 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-dioxolan-2-yl)-2-methylpyrimidine is sourced from PubChem (CID 138750676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).