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

C15H13N3O2 — CID 13301018

IUPAC(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCOc1cc(C)n2cc(C(=O)c3ccccc3)nc2n1
InChIInChI=1S/C15H13N3O2/c1-10-8-13(20-2)17-15-16-12(9-18(10)15)14(19)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOZJBUXJBGDOQII-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.28
Rot. Bonds3

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

(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 13301018) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID13301018
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCOc1cc(C)n2cc(C(=O)c3ccccc3)nc2n1
InChIInChI=1S/C15H13N3O2/c1-10-8-13(20-2)17-15-16-12(9-18(10)15)14(19)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOZJBUXJBGDOQII-UHFFFAOYSA-N
XLogP2.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 13301018) is (7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is COc1cc(C)n2cc(C(=O)c3ccccc3)nc2n1.
What is the InChIKey of (7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is OZJBUXJBGDOQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-8-13(20-2)17-15-16-12(9-18(10)15)14(19)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of (7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 267.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).