ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate

C9H11ClN2O2 — CID 59868739

IUPACethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(Cl)nc1C
InChIInChI=1S/C9H11ClN2O2/c1-4-14-8(13)7-5(2)11-9(10)12-6(7)3/h4H2,1-3H3
InChIKeyQWWCHVHQVYFMJU-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.92
Rot. Bonds2

About ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate

ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate (PubChem CID 59868739) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
PubChem CID59868739
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Nameethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(Cl)nc1C
InChIInChI=1S/C9H11ClN2O2/c1-4-14-8(13)7-5(2)11-9(10)12-6(7)3/h4H2,1-3H3
InChIKeyQWWCHVHQVYFMJU-UHFFFAOYSA-N
XLogP1.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-anilino-2-chloro-6-methylpyrimidine-5-carboxylate
CID 89416676
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 4-amino-6-methyl-2-(propylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647749
2,5-dichloro-4,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic acid
CID 139767095
ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate
CID 23364517
ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate
CID 165455745
ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate
CID 11780400
ethyl 4-chloro-1,6-dimethylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 135395277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate (CID 59868739) is ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(Cl)nc1C.
What is the InChIKey of ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate?
The InChIKey is QWWCHVHQVYFMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-4-14-8(13)7-5(2)11-9(10)12-6(7)3/h4H2,1-3H3.
What are the key properties of ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate?
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate has a molecular weight of 214.65 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate is sourced from PubChem (CID 59868739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).