tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate

C14H21N3O3 — CID 58171610

IUPACtert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate
SMILESCOc1cnc(C2CCN(C(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-6-5-10(9-17)12-15-7-11(19-4)8-16-12/h7-8,10H,5-6,9H2,1-4H3
InChIKeyFDHYISQKABBIPD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 58171610) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate
PubChem CID58171610
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate
SMILESCOc1cnc(C2CCN(C(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-6-5-10(9-17)12-15-7-11(19-4)8-16-12/h7-8,10H,5-6,9H2,1-4H3
InChIKeyFDHYISQKABBIPD-UHFFFAOYSA-N
XLogP2.21
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate (CID 58171610) is tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate is COc1cnc(C2CCN(C(=O)OC(C)(C)C)C2)nc1.
What is the InChIKey of tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is FDHYISQKABBIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-6-5-10(9-17)12-15-7-11(19-4)8-16-12/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58171610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).