2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one

C22H21N5O2 — CID 44564883

IUPAC2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one
SMILESCOc1ccccc1Cn1c(=O)n(-c2ccccc2)c2nc(NC3CC3)ncc21
InChIInChI=1S/C22H21N5O2/c1-29-19-10-6-5-7-15(19)14-26-18-13-23-21(24-16-11-12-16)25-20(18)27(22(26)28)17-8-3-2-4-9-17/h2-10,13,16H,11-12,14H2,1H3,(H,23,24,25)
InChIKeyQLZMJSSRSSLWQS-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.21
Rot. Bonds6

About 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one

2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one (PubChem CID 44564883) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one
PubChem CID44564883
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one
SMILESCOc1ccccc1Cn1c(=O)n(-c2ccccc2)c2nc(NC3CC3)ncc21
InChIInChI=1S/C22H21N5O2/c1-29-19-10-6-5-7-15(19)14-26-18-13-23-21(24-16-11-12-16)25-20(18)27(22(26)28)17-8-3-2-4-9-17/h2-10,13,16H,11-12,14H2,1H3,(H,23,24,25)
InChIKeyQLZMJSSRSSLWQS-UHFFFAOYSA-N
XLogP3.21
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one?
The IUPAC name of 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one (CID 44564883) is 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one.
What is the SMILES notation for 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one?
The canonical SMILES for 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one is COc1ccccc1Cn1c(=O)n(-c2ccccc2)c2nc(NC3CC3)ncc21.
What is the InChIKey of 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one?
The InChIKey is QLZMJSSRSSLWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-29-19-10-6-5-7-15(19)14-26-18-13-23-21(24-16-11-12-16)25-20(18)27(22(26)28)17-8-3-2-4-9-17/h2-10,13,16H,11-12,14H2,1H3,(H,23,24,25).
What are the key properties of 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one?
2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one has a molecular weight of 387.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-phenylpurin-8-one is sourced from PubChem (CID 44564883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).