6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

C26H21N3O2 — CID 11632862

IUPAC6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1ncn(COCc2ccccc2)c2c1cc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-25-23-16-24(21-12-6-2-7-13-21)29(22-14-8-3-9-15-22)26(23)28(18-27-25)19-31-17-20-10-4-1-5-11-20/h1-16,18H,17,19H2
InChIKeyLRWYOGHJXNDXQQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.03
Rot. Bonds6

About 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 11632862) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID11632862
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1ncn(COCc2ccccc2)c2c1cc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-25-23-16-24(21-12-6-2-7-13-21)29(22-14-8-3-9-15-22)26(23)28(18-27-25)19-31-17-20-10-4-1-5-11-20/h1-16,18H,17,19H2
InChIKeyLRWYOGHJXNDXQQ-UHFFFAOYSA-N
XLogP5.03
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole
CID 102940721
1,2,6-triphenylpyridin-4-one
CID 13088641
3-benzyl-6-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-one
CID 11604718
1,4,6-triphenylpyridin-2-one
CID 629600
2-[5-iodo-3-(phenylmethoxymethyl)imidazol-4-yl]acetaldehyde
CID 53393353
1-(phenylmethoxymethyl)pyrazin-2-one
CID 130538606
6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole
CID 73292795
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
CID 102940740
9-(phenylmethoxymethyl)carbazole
CID 2227531
1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 66602762
3-[2-[9-(phenylmethoxymethyl)purin-6-yl]phenyl]benzamide
CID 122531255

Frequently Asked Questions

What is the IUPAC name of 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 11632862) is 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is O=c1ncn(COCc2ccccc2)c2c1cc(-c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is LRWYOGHJXNDXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c30-25-23-16-24(21-12-6-2-7-13-21)29(22-14-8-3-9-15-22)26(23)28(18-27-25)19-31-17-20-10-4-1-5-11-20/h1-16,18H,17,19H2.
What are the key properties of 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 407.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diphenyl-1-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 11632862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).