tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate

C16H24Cl2N4O2 — CID 58270335

IUPACtert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCCc2c(Cl)ncnc2Cl)CC1
InChIInChI=1S/C16H24Cl2N4O2/c1-16(2,3)24-15(23)22-8-5-11(6-9-22)19-7-4-12-13(17)20-10-21-14(12)18/h10-11,19H,4-9H2,1-3H3
InChIKeyJQHCCUQUYJNHML-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.32
Rot. Bonds4

About tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate

tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 58270335) has the molecular formula C16H24Cl2N4O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate
PubChem CID58270335
Molecular FormulaC16H24Cl2N4O2
Molecular Weight375.30 g/mol
Exact Mass374.13
IUPAC Nametert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCCc2c(Cl)ncnc2Cl)CC1
InChIInChI=1S/C16H24Cl2N4O2/c1-16(2,3)24-15(23)22-8-5-11(6-9-22)19-7-4-12-13(17)20-10-21-14(12)18/h10-11,19H,4-9H2,1-3H3
InChIKeyJQHCCUQUYJNHML-UHFFFAOYSA-N
XLogP3.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate (CID 58270335) is tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCCc2c(Cl)ncnc2Cl)CC1.
What is the InChIKey of tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is JQHCCUQUYJNHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N4O2/c1-16(2,3)24-15(23)22-8-5-11(6-9-22)19-7-4-12-13(17)20-10-21-14(12)18/h10-11,19H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 375.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4,6-dichloropyrimidin-5-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 58270335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).