6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

C16H26N6O2 — CID 74759523

IUPAC6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCN(CC)CCN1C2=NC3C(C(=O)NC(=O)N3C)N2C(C)=C1C
InChIInChI=1S/C16H26N6O2/c1-6-20(7-2)8-9-21-10(3)11(4)22-12-13(17-15(21)22)19(5)16(24)18-14(12)23/h12-13H,6-9H2,1-5H3,(H,18,23,24)
InChIKeyBHPDJGKMQHAPBK-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.44
Rot. Bonds5

About 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 74759523) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID74759523
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCN(CC)CCN1C2=NC3C(C(=O)NC(=O)N3C)N2C(C)=C1C
InChIInChI=1S/C16H26N6O2/c1-6-20(7-2)8-9-21-10(3)11(4)22-12-13(17-15(21)22)19(5)16(24)18-14(12)23/h12-13H,6-9H2,1-5H3,(H,18,23,24)
InChIKeyBHPDJGKMQHAPBK-UHFFFAOYSA-N
XLogP0.44
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
CID 10467447
3-Methyl-7-propyl-4,5-dihydropurine-2,6-dione
CID 11521330
2-[8-(Dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
CID 45053504
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-[3-(methylamino)propyl]acetamide
CID 53237794
N-(3-aminopropyl)-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
CID 53237796
3,8-Dimethyl-7-propyl-4,5-dihydropurine-2,6-dione
CID 72738039
4,6,7-Trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73165284
4,7-Dimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73256962
4,7,8-Trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73257125
4,7,8-Trimethyl-6-(3-piperidin-1-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73258412
2-(4,7,8-Trimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide
CID 73258877

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 74759523) is 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is CCN(CC)CCN1C2=NC3C(C(=O)NC(=O)N3C)N2C(C)=C1C.
What is the InChIKey of 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is BHPDJGKMQHAPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-6-20(7-2)8-9-21-10(3)11(4)22-12-13(17-15(21)22)19(5)16(24)18-14(12)23/h12-13H,6-9H2,1-5H3,(H,18,23,24).
What are the key properties of 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 334.42 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 74759523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).