tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate

C25H25N5O3 — CID 78893994

IUPACtert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1
InChIInChI=1S/C25H25N5O3/c1-25(2,3)33-24(32)28-20-9-5-17(6-10-20)15-22(31)27-19-11-7-18(8-12-19)21-16-30-14-4-13-26-23(30)29-21/h4-14,16H,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyGJNHOJPFPXNODP-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.92
Rot. Bonds5

About tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate (PubChem CID 78893994) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate
PubChem CID78893994
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Nametert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1
InChIInChI=1S/C25H25N5O3/c1-25(2,3)33-24(32)28-20-9-5-17(6-10-20)15-22(31)27-19-11-7-18(8-12-19)21-16-30-14-4-13-26-23(30)29-21/h4-14,16H,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyGJNHOJPFPXNODP-UHFFFAOYSA-N
XLogP4.92
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-naphthalen-1-ylacetamide
CID 122285628
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-morpholin-4-ylacetamide
CID 75499509
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-propylpentanamide
CID 20868684
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(3-methylphenyl)acetamide
CID 7080185
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
2-(benzimidazol-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 121033246
5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide
CID 99807438
3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 55825812
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
(E)-3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 98846407
2-hydroxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)cyclopentane-1-carboxamide
CID 110015358

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate (CID 78893994) is tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate?
The InChIKey is GJNHOJPFPXNODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-25(2,3)33-24(32)28-20-9-5-17(6-10-20)15-22(31)27-19-11-7-18(8-12-19)21-16-30-14-4-13-26-23(30)29-21/h4-14,16H,15H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate has a molecular weight of 443.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 78893994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).