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

C14H13N3O2 — CID 66551379

IUPAC6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESCn1ccc2nc(COc3ccccc3)cn2c1=O
InChIInChI=1S/C14H13N3O2/c1-16-8-7-13-15-11(9-17(13)14(16)18)10-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyYPTRWKDUDRHXEU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.61
Rot. Bonds3

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

6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (PubChem CID 66551379) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
PubChem CID66551379
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESCn1ccc2nc(COc3ccccc3)cn2c1=O
InChIInChI=1S/C14H13N3O2/c1-16-8-7-13-15-11(9-17(13)14(16)18)10-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyYPTRWKDUDRHXEU-UHFFFAOYSA-N
XLogP1.61
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (CID 66551379) is 6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is Cn1ccc2nc(COc3ccccc3)cn2c1=O.
What is the InChIKey of 6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is YPTRWKDUDRHXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-16-8-7-13-15-11(9-17(13)14(16)18)10-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 255.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 66551379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).