ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate

C10H12Cl2N2O2 — CID 88548182

IUPACethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(C(C)C)nc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-4-16-10(15)6-7(11)13-9(5(2)3)14-8(6)12/h5H,4H2,1-3H3
InChIKeyWEFOVRKYQOPFMO-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.08
Rot. Bonds3

About ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate

ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate (PubChem CID 88548182) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate
PubChem CID88548182
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Nameethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(C(C)C)nc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-4-16-10(15)6-7(11)13-9(5(2)3)14-8(6)12/h5H,4H2,1-3H3
InChIKeyWEFOVRKYQOPFMO-UHFFFAOYSA-N
XLogP3.08
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate
CID 12677176
Ethyl 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylate
CID 533817
Ethyl 4-chloro-2-ethylpyrimidine-5-carboxylate
CID 12363083
Methyl 4,6-dichloropyrimidine-5-carboxylate
CID 24820741
4,6-Dichloro-2-methylpyrimidine-5-carboxylic acid
CID 58265017
Methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate
CID 130056470
Ethyl 4-chloro-2-(fluoromethyl)pyrimidine-5-carboxylate
CID 89087058
Prop-2-ynyl 4,6-dichloropyrimidine-5-carboxylate
CID 12163361
But-3-ynyl 4,6-dichloropyrimidine-5-carboxylate
CID 12163362
Ethyl 4-chloro-2-propylpyrimidine-5-carboxylate
CID 12828990
Methyl 2,4,6-trichloropyrimidine-5-carboxylate
CID 13264362
Ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
CID 18926906

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate (CID 88548182) is ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1c(Cl)nc(C(C)C)nc1Cl.
What is the InChIKey of ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate?
The InChIKey is WEFOVRKYQOPFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-4-16-10(15)6-7(11)13-9(5(2)3)14-8(6)12/h5H,4H2,1-3H3.
What are the key properties of ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate?
ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate has a molecular weight of 263.12 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dichloro-2-propan-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 88548182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).