methyl 5-chloro-2-ethylpyrimidine-4-carboxylate

C8H9ClN2O2 — CID 58265133

IUPACmethyl 5-chloro-2-ethylpyrimidine-4-carboxylate
SMILESCCc1ncc(Cl)c(C(=O)OC)n1
InChIInChI=1S/C8H9ClN2O2/c1-3-6-10-4-5(9)7(11-6)8(12)13-2/h4H,3H2,1-2H3
InChIKeyDVMNZCGQDWAQRN-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.48
Rot. Bonds2

About methyl 5-chloro-2-ethylpyrimidine-4-carboxylate

methyl 5-chloro-2-ethylpyrimidine-4-carboxylate (PubChem CID 58265133) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 5-chloro-2-ethylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-ethylpyrimidine-4-carboxylate
PubChem CID58265133
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Namemethyl 5-chloro-2-ethylpyrimidine-4-carboxylate
SMILESCCc1ncc(Cl)c(C(=O)OC)n1
InChIInChI=1S/C8H9ClN2O2/c1-3-6-10-4-5(9)7(11-6)8(12)13-2/h4H,3H2,1-2H3
InChIKeyDVMNZCGQDWAQRN-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-ethylpyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-ethylpyrimidine-4-carboxylate (CID 58265133) is methyl 5-chloro-2-ethylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-ethylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-ethylpyrimidine-4-carboxylate is CCc1ncc(Cl)c(C(=O)OC)n1.
What is the InChIKey of methyl 5-chloro-2-ethylpyrimidine-4-carboxylate?
The InChIKey is DVMNZCGQDWAQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-3-6-10-4-5(9)7(11-6)8(12)13-2/h4H,3H2,1-2H3.
What are the key properties of methyl 5-chloro-2-ethylpyrimidine-4-carboxylate?
methyl 5-chloro-2-ethylpyrimidine-4-carboxylate has a molecular weight of 200.62 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-ethylpyrimidine-4-carboxylate is sourced from PubChem (CID 58265133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).