tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate

C17H23ClN4O3 — CID 170573045

IUPACtert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2nc(Cl)cc3nccn23)CC1
InChIInChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)20-11-4-6-12(7-5-11)24-15-21-13(18)10-14-19-8-9-22(14)15/h8-12H,4-7H2,1-3H3,(H,20,23)
InChIKeyXXFADIAHQZQXAZ-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.60
Rot. Bonds3

About tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate

tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate (PubChem CID 170573045) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate
PubChem CID170573045
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Nametert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2nc(Cl)cc3nccn23)CC1
InChIInChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)20-11-4-6-12(7-5-11)24-15-21-13(18)10-14-19-8-9-22(14)15/h8-12H,4-7H2,1-3H3,(H,20,23)
InChIKeyXXFADIAHQZQXAZ-UHFFFAOYSA-N
XLogP3.60
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate (CID 170573045) is tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Oc2nc(Cl)cc3nccn23)CC1.
What is the InChIKey of tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate?
The InChIKey is XXFADIAHQZQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)20-11-4-6-12(7-5-11)24-15-21-13(18)10-14-19-8-9-22(14)15/h8-12H,4-7H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate?
tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate has a molecular weight of 366.85 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate is sourced from PubChem (CID 170573045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).