2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine

C16H17N3 — CID 21363956

IUPAC2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine
SMILESCc1nc(C)c2c(C)n(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C16H17N3/c1-10-14-11(2)19(4)16(13-8-6-5-7-9-13)15(14)18-12(3)17-10/h5-9H,1-4H3
InChIKeyQCDINWQSSLUYLN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.56
Rot. Bonds1

About 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine

2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine (PubChem CID 21363956) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine
PubChem CID21363956
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine
SMILESCc1nc(C)c2c(C)n(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C16H17N3/c1-10-14-11(2)19(4)16(13-8-6-5-7-9-13)15(14)18-12(3)17-10/h5-9H,1-4H3
InChIKeyQCDINWQSSLUYLN-UHFFFAOYSA-N
XLogP3.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-phenylimidazo[1,2-a]benzimidazole
CID 158748738
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
2-methyl-4-phenylphenanthro[9,10-d]pyrimidine
CID 140928944
2-methyl-1,3-diphenylisoindole
CID 3710956
4-bromo-1,2-dimethyl-5-phenylpyrrole-3-carbonitrile
CID 91672986
1-methyl-2,5-diphenylimidazole-4-carbaldehyde
CID 14924912
2,8-dimethyl-3-phenylimidazo[1,2-a]pyridine
CID 23543523
4-[2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethyl]-1,5-dimethyl-2-phenylimidazole
CID 123608217
1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate
CID 22159895
hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine
CID 159474049
1-methyl-4-(2-methylphenyl)-2,5-diphenylimidazole
CID 53243903
2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole
CID 10710333

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine (CID 21363956) is 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine is Cc1nc(C)c2c(C)n(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine?
The InChIKey is QCDINWQSSLUYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-14-11(2)19(4)16(13-8-6-5-7-9-13)15(14)18-12(3)17-10/h5-9H,1-4H3.
What are the key properties of 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine?
2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine has a molecular weight of 251.33 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethyl-7-phenylpyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 21363956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).