(7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

C17H17N3O2 — CID 13301029

IUPAC(7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCc1cc(OC)nc2nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C17H17N3O2/c1-3-7-13-10-15(22-2)19-17-18-14(11-20(13)17)16(21)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3
InChIKeyXFKHDFYLMAOEIC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.92
Rot. Bonds5

About (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

(7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 13301029) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID13301029
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCc1cc(OC)nc2nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C17H17N3O2/c1-3-7-13-10-15(22-2)19-17-18-14(11-20(13)17)16(21)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3
InChIKeyXFKHDFYLMAOEIC-UHFFFAOYSA-N
XLogP2.92
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 13301029) is (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is CCCc1cc(OC)nc2nc(C(=O)c3ccccc3)cn12.
What is the InChIKey of (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is XFKHDFYLMAOEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-7-13-10-15(22-2)19-17-18-14(11-20(13)17)16(21)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3.
What are the key properties of (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 295.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).