tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate

C16H24ClN3O3 — CID 18366572

IUPACtert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCCc1ncnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl
InChIInChI=1S/C16H24ClN3O3/c1-5-12-13(17)14(19-10-18-12)22-11-6-8-20(9-7-11)15(21)23-16(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyHYUFGHGKLGDNKL-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.47
Rot. Bonds3

About tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 18366572) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID18366572
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Nametert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCCc1ncnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl
InChIInChI=1S/C16H24ClN3O3/c1-5-12-13(17)14(19-10-18-12)22-11-6-8-20(9-7-11)15(21)23-16(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyHYUFGHGKLGDNKL-UHFFFAOYSA-N
XLogP3.47
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-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 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 18366572) is tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate is CCc1ncnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl.
What is the InChIKey of tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is HYUFGHGKLGDNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-5-12-13(17)14(19-10-18-12)22-11-6-8-20(9-7-11)15(21)23-16(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 341.84 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-chloro-6-ethylpyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 18366572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).