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

C12H13N3O2 — CID 10014116

IUPACcyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCOc1cc(C)n2cc(C(=O)C3CC3)nc2n1
InChIInChI=1S/C12H13N3O2/c1-7-5-10(17-2)14-12-13-9(6-15(7)12)11(16)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeySJHAIJXCJJOMDZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.64
Rot. Bonds3

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

cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 10014116) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID10014116
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namecyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCOc1cc(C)n2cc(C(=O)C3CC3)nc2n1
InChIInChI=1S/C12H13N3O2/c1-7-5-10(17-2)14-12-13-9(6-15(7)12)11(16)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeySJHAIJXCJJOMDZ-UHFFFAOYSA-N
XLogP1.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 10014116) is cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone is COc1cc(C)n2cc(C(=O)C3CC3)nc2n1.
What is the InChIKey of cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is SJHAIJXCJJOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-5-10(17-2)14-12-13-9(6-15(7)12)11(16)8-3-4-8/h5-6,8H,3-4H2,1-2H3.
What are the key properties of cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone?
cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 231.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 10014116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).