8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione

C12H20N6O2 — CID 61043557

IUPAC8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCC(CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)N(C)C
InChIInChI=1S/C12H20N6O2/c1-7(16(2)3)6-13-11-14-8-9(15-11)17(4)12(20)18(5)10(8)19/h7H,6H2,1-5H3,(H2,13,14,15)
InChIKeyDAHGBLNHNZPIBE-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.68
Rot. Bonds4

About 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione

8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 61043557) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID61043557
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCC(CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)N(C)C
InChIInChI=1S/C12H20N6O2/c1-7(16(2)3)6-13-11-14-8-9(15-11)17(4)12(20)18(5)10(8)19/h7H,6H2,1-5H3,(H2,13,14,15)
InChIKeyDAHGBLNHNZPIBE-UHFFFAOYSA-N
XLogP-0.68
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione with MolForge

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Related Compounds

8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione
CID 6928527
8-(2,2-dimethylpropylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 61167628
1,3-dimethyl-8-(3-methylpentan-2-ylamino)-7H-purine-2,6-dione
CID 61463587
8-(2-ethoxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 43591219
1,3-dimethyl-8-(pent-1-yn-3-ylamino)-7H-purine-2,6-dione
CID 106231256
8-(5-aminopentylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 107323631
1,3-dimethyl-8-(pyridin-4-ylmethylamino)-7H-purine-2,6-dione
CID 30049858
1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-7H-purine-2,6-dione
CID 61003885
8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 1493329
1,3-dimethyl-8-(oxan-4-ylmethylamino)-7H-purine-2,6-dione
CID 63711378
1,3-dimethyl-8-(thiophen-2-ylmethylamino)-7H-purine-2,6-dione
CID 1493334
8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 3056912

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione (CID 61043557) is 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione is CC(CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)N(C)C.
What is the InChIKey of 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is DAHGBLNHNZPIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-7(16(2)3)6-13-11-14-8-9(15-11)17(4)12(20)18(5)10(8)19/h7H,6H2,1-5H3,(H2,13,14,15).
What are the key properties of 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione?
8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 280.33 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 61043557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).