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

C6H5Cl2N3O2 — CID 19094601

IUPACmethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
SMILESCOC(=O)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C6H5Cl2N3O2/c1-13-5(12)2-3(7)10-6(9)11-4(2)8/h1H3,(H2,9,10,11)
InChIKeyXYLBAPDOLDXOND-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.15
Rot. Bonds1

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

methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate (PubChem CID 19094601) has the molecular formula C6H5Cl2N3O2 and a molecular weight of 222.03 g/mol. Its IUPAC name is methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
PubChem CID19094601
Molecular FormulaC6H5Cl2N3O2
Molecular Weight222.03 g/mol
Exact Mass220.98
IUPAC Namemethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
SMILESCOC(=O)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C6H5Cl2N3O2/c1-13-5(12)2-3(7)10-6(9)11-4(2)8/h1H3,(H2,9,10,11)
InChIKeyXYLBAPDOLDXOND-UHFFFAOYSA-N
XLogP1.15
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylate
CID 533817
Trichloropyrimidine-5-carboxylic acid
CID 20083957
Methyl 4,6-dichloropyrimidine-5-carboxylate
CID 24820741
4,6-Dichloro-2-methylpyrimidine-5-carboxylic acid
CID 58265017
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
Methyl 2,4,6-trichloropyrimidine-5-carboxylate
CID 13264362
Ethyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
CID 18926906
Butyl 2-amino-4,6-dichloropyrimidine-5-carboxylate
CID 19094597
Ethyl 2,4,6-trichloropyrimidine-5-carboxylate
CID 21559811

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate?
The IUPAC name of methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate (CID 19094601) is methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate is COC(=O)c1c(Cl)nc(N)nc1Cl.
What is the InChIKey of methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate?
The InChIKey is XYLBAPDOLDXOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O2/c1-13-5(12)2-3(7)10-6(9)11-4(2)8/h1H3,(H2,9,10,11).
What are the key properties of methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate?
methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate has a molecular weight of 222.03 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4,6-dichloropyrimidine-5-carboxylate is sourced from PubChem (CID 19094601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).