2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione

C21H17N5O2 — CID 632880

IUPAC2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O
InChIInChI=1S/C21H17N5O2/c1-23-18-17(19(27)24(2)21(23)28)25-13-16(14-9-5-3-6-10-14)26(20(25)22-18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyQNOZYVNQDBMUMS-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.34
Rot. Bonds2

About 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione

2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 632880) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione
PubChem CID632880
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O
InChIInChI=1S/C21H17N5O2/c1-23-18-17(19(27)24(2)21(23)28)25-13-16(14-9-5-3-6-10-14)26(20(25)22-18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyQNOZYVNQDBMUMS-UHFFFAOYSA-N
XLogP2.34
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione (CID 632880) is 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione is Cn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is QNOZYVNQDBMUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-23-18-17(19(27)24(2)21(23)28)25-13-16(14-9-5-3-6-10-14)26(20(25)22-18)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione?
2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 371.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 632880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).