ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate

C7H7Cl2N3O2 — CID 18926906

IUPACethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H7Cl2N3O2/c1-2-14-6(13)3-4(8)11-7(10)12-5(3)9/h2H2,1H3,(H2,10,11,12)
InChIKeyMCWBNESMGWVKNS-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.54
Rot. Bonds2

About ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate

ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate (PubChem CID 18926906) has the molecular formula C7H7Cl2N3O2 and a molecular weight of 236.06 g/mol. Its IUPAC name is ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
PubChem CID18926906
Molecular FormulaC7H7Cl2N3O2
Molecular Weight236.06 g/mol
Exact Mass234.99
IUPAC Nameethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H7Cl2N3O2/c1-2-14-6(13)3-4(8)11-7(10)12-5(3)9/h2H2,1H3,(H2,10,11,12)
InChIKeyMCWBNESMGWVKNS-UHFFFAOYSA-N
XLogP1.54
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2,4-dichloropyrimidine-5-carboxylate
CID 104020
Ethyl 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylate
CID 533817
Ethyl 4-chloropyrimidine-5-carboxylate
CID 12684326
Methyl 4,6-dichloropyrimidine-5-carboxylate
CID 24820741
Methyl 2-amino-4-chloropyrimidine-5-carboxylate
CID 66523137
Methyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate
CID 71304416
Methyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate
CID 130056470
Prop-2-ynyl 4,6-dichloropyrimidine-5-carboxylate
CID 12163361
But-3-ynyl 4,6-dichloropyrimidine-5-carboxylate
CID 12163362
Methyl 2,4,6-trichloropyrimidine-5-carboxylate
CID 13264362
Butyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
CID 19094597
Methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
CID 19094601

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate (CID 18926906) is ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate is CCOC(=O)c1c(Cl)nc(N)nc1Cl.
What is the InChIKey of ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate?
The InChIKey is MCWBNESMGWVKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O2/c1-2-14-6(13)3-4(8)11-7(10)12-5(3)9/h2H2,1H3,(H2,10,11,12).
What are the key properties of ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate?
ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate has a molecular weight of 236.06 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate is sourced from PubChem (CID 18926906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).