8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one

C22H21N3O3 — CID 134809800

IUPAC8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESCOc1ccc(C)cc1-c1cn(C)c(=O)n2cc(COc3ccccc3)nc12
InChIInChI=1S/C22H21N3O3/c1-15-9-10-20(27-3)18(11-15)19-13-24(2)22(26)25-12-16(23-21(19)25)14-28-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyZSHPCYWMNZBAPX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.60
Rot. Bonds5

About 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one

8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (PubChem CID 134809800) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
PubChem CID134809800
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESCOc1ccc(C)cc1-c1cn(C)c(=O)n2cc(COc3ccccc3)nc12
InChIInChI=1S/C22H21N3O3/c1-15-9-10-20(27-3)18(11-15)19-13-24(2)22(26)25-12-16(23-21(19)25)14-28-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyZSHPCYWMNZBAPX-UHFFFAOYSA-N
XLogP3.60
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (CID 134809800) is 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is COc1ccc(C)cc1-c1cn(C)c(=O)n2cc(COc3ccccc3)nc12.
What is the InChIKey of 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is ZSHPCYWMNZBAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-9-10-20(27-3)18(11-15)19-13-24(2)22(26)25-12-16(23-21(19)25)14-28-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3.
What are the key properties of 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 375.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxy-5-methylphenyl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 134809800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).