[4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone

C24H32N4O2 — CID 14201457

IUPAC[4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone
SMILESCCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3ncccn23)cc1
InChIInChI=1S/C24H32N4O2/c1-3-5-14-27(15-6-4-2)16-8-18-30-21-11-9-20(10-12-21)23(29)22-19-26-24-25-13-7-17-28(22)24/h7,9-13,17,19H,3-6,8,14-16,18H2,1-2H3
InChIKeyDHDGRKQRYSSFRW-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.63
Rot. Bonds13

About [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone

[4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone (PubChem CID 14201457) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone
PubChem CID14201457
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name[4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone
SMILESCCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3ncccn23)cc1
InChIInChI=1S/C24H32N4O2/c1-3-5-14-27(15-6-4-2)16-8-18-30-21-11-9-20(10-12-21)23(29)22-19-26-24-25-13-7-17-28(22)24/h7,9-13,17,19H,3-6,8,14-16,18H2,1-2H3
InChIKeyDHDGRKQRYSSFRW-UHFFFAOYSA-N
XLogP4.63
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The IUPAC name of [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone (CID 14201457) is [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone is CCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3ncccn23)cc1.
What is the InChIKey of [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone?
The InChIKey is DHDGRKQRYSSFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-5-14-27(15-6-4-2)16-8-18-30-21-11-9-20(10-12-21)23(29)22-19-26-24-25-13-7-17-28(22)24/h7,9-13,17,19H,3-6,8,14-16,18H2,1-2H3.
What are the key properties of [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone?
[4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone has a molecular weight of 408.55 g/mol, XLogP of 4.63, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dibutylamino)propoxy]phenyl]-imidazo[1,2-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 14201457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).