imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone

C14H11N3O2 — CID 7150861

IUPACimidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ncccn23)cc1
InChIInChI=1S/C14H11N3O2/c1-19-11-5-3-10(4-6-11)13(18)12-9-16-14-15-7-2-8-17(12)14/h2-9H,1H3
InChIKeyPZLBFLOLJUZDNW-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.97
Rot. Bonds3

About imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone

imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone (PubChem CID 7150861) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone
PubChem CID7150861
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Nameimidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ncccn23)cc1
InChIInChI=1S/C14H11N3O2/c1-19-11-5-3-10(4-6-11)13(18)12-9-16-14-15-7-2-8-17(12)14/h2-9H,1H3
InChIKeyPZLBFLOLJUZDNW-UHFFFAOYSA-N
XLogP1.97
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 65822
CID 65822
CID 675270
CID 675270
CID 760231
CID 760231
CID 134179274
CID 134179274
CID 404537
CID 404537
CID 5330616
CID 5330616
CID 5330617
CID 5330617
CID 5330621
CID 5330621
CID 5330632
CID 5330632
CID 739244
CID 739244
CID 751904
CID 751904
CID 1073190
CID 1073190

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone (CID 7150861) is imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cnc3ncccn23)cc1.
What is the InChIKey of imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone?
The InChIKey is PZLBFLOLJUZDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-11-5-3-10(4-6-11)13(18)12-9-16-14-15-7-2-8-17(12)14/h2-9H,1H3.
What are the key properties of imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone?
imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone has a molecular weight of 253.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-3-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 7150861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).