ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate

C10H10Cl2N2O4 — CID 168887303

IUPACethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)nc(Cl)c1C1OCCO1
InChIInChI=1S/C10H10Cl2N2O4/c1-2-16-8(15)6-5(9-17-3-4-18-9)7(11)14-10(12)13-6/h9H,2-4H2,1H3
InChIKeyXQQXDPRDWUXHRB-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.01
Rot. Bonds3

About ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate

ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate (PubChem CID 168887303) has the molecular formula C10H10Cl2N2O4 and a molecular weight of 293.11 g/mol. Its IUPAC name is ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate
PubChem CID168887303
Molecular FormulaC10H10Cl2N2O4
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Nameethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)nc(Cl)c1C1OCCO1
InChIInChI=1S/C10H10Cl2N2O4/c1-2-16-8(15)6-5(9-17-3-4-18-9)7(11)14-10(12)13-6/h9H,2-4H2,1H3
InChIKeyXQQXDPRDWUXHRB-UHFFFAOYSA-N
XLogP2.01
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethyl 2,6-dichloro-5-phenoxypyrimidine-4-carboxylate
CID 19934748
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 2-[2,6-dichloro-5-(1,3-dioxol-2-yl)pyrimidin-4-yl]acetate
CID 167494607
ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
ethyl 4,6-dichloro-3-(1,3-dioxolan-2-yl)-1H-indole-2-carboxylate
CID 170874265
ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate
CID 116526300
ethyl 5-chloro-2H-triazole-4-carboxylate
CID 6405202
ethyl 2,6-dichloro-5-[2-[(2S)-4-methylpiperazin-2-yl]ethyl]pyrimidine-4-carboxylate
CID 129179204
diethyl 2-chloro-1,3-thiazole-4,5-dicarboxylate
CID 15009545
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate (CID 168887303) is ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate is CCOC(=O)c1nc(Cl)nc(Cl)c1C1OCCO1.
What is the InChIKey of ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate?
The InChIKey is XQQXDPRDWUXHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O4/c1-2-16-8(15)6-5(9-17-3-4-18-9)7(11)14-10(12)13-6/h9H,2-4H2,1H3.
What are the key properties of ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate?
ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate has a molecular weight of 293.11 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 168887303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).