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

C28H24N4 — CID 46927245

IUPAC1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4nc(-c5ccccc5)cn4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C28H24N4/c29-28(16-7-17-28)23-14-12-22(13-15-23)26-24(20-8-3-1-4-9-20)18-32-19-25(30-27(32)31-26)21-10-5-2-6-11-21/h1-6,8-15,18-19H,7,16-17,29H2
InChIKeyTXGQQPACDZGSQM-UHFFFAOYSA-N
MW416.53 g/mol
LogP6.07
Rot. Bonds4

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

1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine (PubChem CID 46927245) has the molecular formula C28H24N4 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
PubChem CID46927245
Molecular FormulaC28H24N4
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4nc(-c5ccccc5)cn4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C28H24N4/c29-28(16-7-17-28)23-14-12-22(13-15-23)26-24(20-8-3-1-4-9-20)18-32-19-25(30-27(32)31-26)21-10-5-2-6-11-21/h1-6,8-15,18-19H,7,16-17,29H2
InChIKeyTXGQQPACDZGSQM-UHFFFAOYSA-N
XLogP6.07
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine (CID 46927245) is 1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3nc4nc(-c5ccccc5)cn4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine?
The InChIKey is TXGQQPACDZGSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4/c29-28(16-7-17-28)23-14-12-22(13-15-23)26-24(20-8-3-1-4-9-20)18-32-19-25(30-27(32)31-26)21-10-5-2-6-11-21/h1-6,8-15,18-19H,7,16-17,29H2.
What are the key properties of 1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine?
1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine has a molecular weight of 416.53 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 46927245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).