tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate

C19H23ClN4O2 — CID 56954771

IUPACtert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3ncc(N)nc3Cl)cc2)CCC1
InChIInChI=1S/C19H23ClN4O2/c1-18(2,3)26-17(25)24-19(9-4-10-19)13-7-5-12(6-8-13)15-16(20)23-14(21)11-22-15/h5-8,11H,4,9-10H2,1-3H3,(H2,21,23)(H,24,25)
InChIKeyNRXDXZMQLFBWRK-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.28
Rot. Bonds3

About tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate (PubChem CID 56954771) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate
PubChem CID56954771
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Nametert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3ncc(N)nc3Cl)cc2)CCC1
InChIInChI=1S/C19H23ClN4O2/c1-18(2,3)26-17(25)24-19(9-4-10-19)13-7-5-12(6-8-13)15-16(20)23-14(21)11-22-15/h5-8,11H,4,9-10H2,1-3H3,(H2,21,23)(H,24,25)
InChIKeyNRXDXZMQLFBWRK-UHFFFAOYSA-N
XLogP4.28
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate (CID 56954771) is tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3ncc(N)nc3Cl)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is NRXDXZMQLFBWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-18(2,3)26-17(25)24-19(9-4-10-19)13-7-5-12(6-8-13)15-16(20)23-14(21)11-22-15/h5-8,11H,4,9-10H2,1-3H3,(H2,21,23)(H,24,25).
What are the key properties of tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 374.87 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 56954771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).