[4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone

C25H34N4O2 — CID 14201520

IUPAC[4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESCCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3nc(C)ccn23)cc1
InChIInChI=1S/C25H34N4O2/c1-4-6-14-28(15-7-5-2)16-8-18-31-22-11-9-21(10-12-22)24(30)23-19-26-25-27-20(3)13-17-29(23)25/h9-13,17,19H,4-8,14-16,18H2,1-3H3
InChIKeyNJVSMSNTFQPRHG-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.94
Rot. Bonds13

About [4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone

[4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone (PubChem CID 14201520) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is [4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
PubChem CID14201520
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name[4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESCCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3nc(C)ccn23)cc1
InChIInChI=1S/C25H34N4O2/c1-4-6-14-28(15-7-5-2)16-8-18-31-22-11-9-21(10-12-22)24(30)23-19-26-25-27-20(3)13-17-29(23)25/h9-13,17,19H,4-8,14-16,18H2,1-3H3
InChIKeyNJVSMSNTFQPRHG-UHFFFAOYSA-N
XLogP4.94
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.94
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]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
The IUPAC name of [4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone (CID 14201520) is [4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone is CCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3nc(C)ccn23)cc1.
What is the InChIKey of [4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
The InChIKey is NJVSMSNTFQPRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-4-6-14-28(15-7-5-2)16-8-18-31-22-11-9-21(10-12-22)24(30)23-19-26-25-27-20(3)13-17-29(23)25/h9-13,17,19H,4-8,14-16,18H2,1-3H3.
What are the key properties of [4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
[4-[3-(dibutylamino)propoxy]phenyl]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone has a molecular weight of 422.57 g/mol, XLogP of 4.94, 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]-(7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 14201520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).