7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione

C14H23N5O2 — CID 82465736

IUPAC7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione
SMILESCC(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)(C)N
InChIInChI=1S/C14H23N5O2/c1-8(2)10-16-11-9(19(10)7-14(3,4)15)12(20)18(6)13(21)17(11)5/h8H,7,15H2,1-6H3
InChIKeyFIBQNDHVRGPOSM-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.29
Rot. Bonds3

About 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione

7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione (PubChem CID 82465736) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione
PubChem CID82465736
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione
SMILESCC(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)(C)N
InChIInChI=1S/C14H23N5O2/c1-8(2)10-16-11-9(19(10)7-14(3,4)15)12(20)18(6)13(21)17(11)5/h8H,7,15H2,1-6H3
InChIKeyFIBQNDHVRGPOSM-UHFFFAOYSA-N
XLogP0.29
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-amino-2-methylpropyl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466472
1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione
CID 82466482
7-ethyl-1,3-dimethyl-8-(trifluoromethyl)purine-2,6-dione
CID 20562612
8-bromo-7-[(2S)-2-bromopropyl]-1,3-dimethylpurine-2,6-dione
CID 7164468
8-chloro-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CID 3239845
7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 12506348
8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
CID 82463911
1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione
CID 16802673
1-(3-aminopropyl)-3,7-diethyl-8-propan-2-ylpurine-2,6-dione
CID 82466554
1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
CID 82465740
8-(butan-2-ylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione
CID 16805287
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione?
The IUPAC name of 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione (CID 82465736) is 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione is CC(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)(C)N.
What is the InChIKey of 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione?
The InChIKey is FIBQNDHVRGPOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-8(2)10-16-11-9(19(10)7-14(3,4)15)12(20)18(6)13(21)17(11)5/h8H,7,15H2,1-6H3.
What are the key properties of 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione?
7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 82465736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).