2-[4-(Propan-2-yl)phenyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde - CAS 891765-56-3

Catalog:	BB076418
Product Name:	2-[4-(Propan-2-yl)phenyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde
CAS:	891765-56-3
Synonyms:	2-[4-(1-METHYLETHYL)PHENYL]-IMIDAZO[1,2-A]PYRIMIDINE-3-CARBOXALDEHYDE; 2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde; 2-(4-ISOPROPYLPHENYL)IMIDAZO[1,2-A]PYRIMIDINE-3-CARBALDEHYDE; 2-[4-(propan-2-yl)phenyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde

Technical Data

IUPAC Name:	2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
Description:	2-[4-(propan-2-yl)phenyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde (cas# 891765-56-3) is a useful research chemical for organic synthesis.
Molecular Weight:	265.31
Molecular Formula:	C16H15N3O
Canonical SMILES:	CC(C)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C=O
InChI:	InChI=1S/C16H15N3O/c1-11(2)12-4-6-13(7-5-12)15-14(10-20)19-9-3-8-17-16(19)18-15/h3-11H,1-2H3
InChI Key:	ZKICESLVDZXWOY-UHFFFAOYSA-N
References:	Delbeck, M., et al. From PCT Int. Appl. (2018), WO 2018227427 A1 20181220; Delbeck, M., et al. From PCT Int. Appl. (2018), WO 2018228907 A1 20181220.

Complexity:	339
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.12151211
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.12151211
Rotatable Bond Count:	3
Topological Polar Surface Area:	47.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7