ethyl 2-chloro-6-methylpyrimidine-4-carboxylate

C8H9ClN2O2 — CID 2736385

IUPACethyl 2-chloro-6-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-3-13-7(12)6-4-5(2)10-8(9)11-6/h4H,3H2,1-2H3
InChIKeyKXYPJIQULMYRSV-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.62
Rot. Bonds2

About ethyl 2-chloro-6-methylpyrimidine-4-carboxylate

ethyl 2-chloro-6-methylpyrimidine-4-carboxylate (PubChem CID 2736385) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is ethyl 2-chloro-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-6-methylpyrimidine-4-carboxylate
PubChem CID2736385
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Nameethyl 2-chloro-6-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-3-13-7(12)6-4-5(2)10-8(9)11-6/h4H,3H2,1-2H3
InChIKeyKXYPJIQULMYRSV-UHFFFAOYSA-N
XLogP1.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 69277954
oxan-4-ylmethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 114221381
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976
ethyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate
CID 155487640
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
CID 122609392
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 19989216
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134662482
ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 167560539

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-6-methylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-chloro-6-methylpyrimidine-4-carboxylate (CID 2736385) is ethyl 2-chloro-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-chloro-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-chloro-6-methylpyrimidine-4-carboxylate is CCOC(=O)c1cc(C)nc(Cl)n1.
What is the InChIKey of ethyl 2-chloro-6-methylpyrimidine-4-carboxylate?
The InChIKey is KXYPJIQULMYRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-3-13-7(12)6-4-5(2)10-8(9)11-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-6-methylpyrimidine-4-carboxylate?
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate has a molecular weight of 200.62 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 2736385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).