ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate

C11H15ClN4O3 — CID 62858505

IUPACethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1nc(Cl)nc(OC)n1
InChIInChI=1S/C11H15ClN4O3/c1-3-19-8(17)7-5-4-6-16(7)10-13-9(12)14-11(15-10)18-2/h7H,3-6H2,1-2H3
InChIKeyVFILOBLYMWIINS-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.07
Rot. Bonds4

About ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate

ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate (PubChem CID 62858505) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
PubChem CID62858505
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Nameethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1nc(Cl)nc(OC)n1
InChIInChI=1S/C11H15ClN4O3/c1-3-19-8(17)7-5-4-6-16(7)10-13-9(12)14-11(15-10)18-2/h7H,3-6H2,1-2H3
InChIKeyVFILOBLYMWIINS-UHFFFAOYSA-N
XLogP1.07
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate (CID 62858505) is ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1nc(Cl)nc(OC)n1.
What is the InChIKey of ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is VFILOBLYMWIINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c1-3-19-8(17)7-5-4-6-16(7)10-13-9(12)14-11(15-10)18-2/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate?
ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62858505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).