ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate

C13H19N3O3 — CID 66333084

IUPACethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cc(OC)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-4-19-13(17)10-6-5-7-16(10)11-8-12(18-3)15-9(2)14-11/h8,10H,4-7H2,1-3H3
InChIKeyHGIDWPBDQAHUHB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.33
Rot. Bonds4

About ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate

ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 66333084) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate
PubChem CID66333084
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cc(OC)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-4-19-13(17)10-6-5-7-16(10)11-8-12(18-3)15-9(2)14-11/h8,10H,4-7H2,1-3H3
InChIKeyHGIDWPBDQAHUHB-UHFFFAOYSA-N
XLogP1.33
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate
CID 114765903
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
CID 80647768
ethyl 1-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
CID 79399934
N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 66333888
ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
CID 62858505
ethyl 1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79176555
4-[2-(chloromethyl)piperidin-1-yl]-6-methoxy-2-methylpyrimidine
CID 66331673
1-[1-(6-methoxy-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66333682
ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 114051037
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate
CID 114985351

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate (CID 66333084) is ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1cc(OC)nc(C)n1.
What is the InChIKey of ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is HGIDWPBDQAHUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-19-13(17)10-6-5-7-16(10)11-8-12(18-3)15-9(2)14-11/h8,10H,4-7H2,1-3H3.
What are the key properties of ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate?
ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 66333084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).