7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione

C25H29N5O2 — CID 24846503

IUPAC7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione
SMILESCC(C)N(C(C)C(c1ccccc1)c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C25H29N5O2/c1-17(2)30(29-16-26-23-22(29)24(31)28(5)25(32)27(23)4)18(3)21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,21H,1-5H3
InChIKeyDAKRRMPNWXTVOY-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.00
Rot. Bonds6

About 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione

7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione (PubChem CID 24846503) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione
PubChem CID24846503
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione
SMILESCC(C)N(C(C)C(c1ccccc1)c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C25H29N5O2/c1-17(2)30(29-16-26-23-22(29)24(31)28(5)25(32)27(23)4)18(3)21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,21H,1-5H3
InChIKeyDAKRRMPNWXTVOY-UHFFFAOYSA-N
XLogP3.00
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide
CID 4805082
1,3-dimethyl-7-[2-[1-phenylethyl(prop-2-ynyl)amino]ethyl]purine-2,6-dione
CID 110174469
7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione
CID 146403548
7-[3-[benzyl(propan-2-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione
CID 110175748
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 7425559
1,3-dimethyl-7-(2-phenylbutanoyl)purine-2,6-dione
CID 131844359
1,3-dimethyl-7-(4-phenylbutan-2-yl)purine-2,6-dione
CID 60529422
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-(2-hydroxy-2-phenylethyl)azanium chloride
CID 110174112
7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione
CID 6924084
1,3-dimethyl-7-[2-methyl-3-(2-phenylethylamino)propyl]purine-2,6-dione chloride
CID 110176328
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 3-hydroxy-2-phenylpropanoate
CID 110180937
1,3,7-trimethylpurine-2,6-dione
CID 131953138

Frequently Asked Questions

What is the IUPAC name of 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione (CID 24846503) is 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione is CC(C)N(C(C)C(c1ccccc1)c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione?
The InChIKey is DAKRRMPNWXTVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17(2)30(29-16-26-23-22(29)24(31)28(5)25(32)27(23)4)18(3)21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,21H,1-5H3.
What are the key properties of 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione?
7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione has a molecular weight of 431.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1,1-diphenylpropan-2-yl(propan-2-yl)amino]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 24846503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).