(6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

C20H23N3O2 — CID 13301148

IUPAC(6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC
InChIInChI=1S/C20H23N3O2/c1-4-6-12-15-17(5-2)23-13-16(21-20(23)22-19(15)25-3)18(24)14-10-8-7-9-11-14/h7-11,13H,4-6,12H2,1-3H3
InChIKeyNJOLBYRBGPFATN-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.87
Rot. Bonds7

About (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

(6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 13301148) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID13301148
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC
InChIInChI=1S/C20H23N3O2/c1-4-6-12-15-17(5-2)23-13-16(21-20(23)22-19(15)25-3)18(24)14-10-8-7-9-11-14/h7-11,13H,4-6,12H2,1-3H3
InChIKeyNJOLBYRBGPFATN-UHFFFAOYSA-N
XLogP3.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 13301148) is (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is CCCCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC.
What is the InChIKey of (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is NJOLBYRBGPFATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-6-12-15-17(5-2)23-13-16(21-20(23)22-19(15)25-3)18(24)14-10-8-7-9-11-14/h7-11,13H,4-6,12H2,1-3H3.
What are the key properties of (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 337.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).