1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine

C24H24N4 — CID 46927249

IUPAC1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
SMILESCCc1cn2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1
InChIInChI=1S/C24H24N4/c1-2-20-15-28-16-21(17-7-4-3-5-8-17)22(27-23(28)26-20)18-9-11-19(12-10-18)24(25)13-6-14-24/h3-5,7-12,15-16H,2,6,13-14,25H2,1H3
InChIKeyNASTXRIHOCJVIR-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.96
Rot. Bonds4

About 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine

1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine (PubChem CID 46927249) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
PubChem CID46927249
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
SMILESCCc1cn2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1
InChIInChI=1S/C24H24N4/c1-2-20-15-28-16-21(17-7-4-3-5-8-17)22(27-23(28)26-20)18-9-11-19(12-10-18)24(25)13-6-14-24/h3-5,7-12,15-16H,2,6,13-14,25H2,1H3
InChIKeyNASTXRIHOCJVIR-UHFFFAOYSA-N
XLogP4.96
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine (CID 46927249) is 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine is CCc1cn2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1.
What is the InChIKey of 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine?
The InChIKey is NASTXRIHOCJVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-2-20-15-28-16-21(17-7-4-3-5-8-17)22(27-23(28)26-20)18-9-11-19(12-10-18)24(25)13-6-14-24/h3-5,7-12,15-16H,2,6,13-14,25H2,1H3.
What are the key properties of 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine?
1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine has a molecular weight of 368.48 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 46927249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).