1-propyl-3,4-dihydropurine-2,6-dione

C8H10N4O2 — CID 141216690

IUPAC1-propyl-3,4-dihydropurine-2,6-dione
SMILESCCCN1C(=O)NC2N=CN=C2C1=O
InChIInChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4,6H,2-3H2,1H3,(H,11,14)
InChIKeyDXMWTXSLPFAHLM-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.24
Rot. Bonds2

About 1-propyl-3,4-dihydropurine-2,6-dione

1-propyl-3,4-dihydropurine-2,6-dione (PubChem CID 141216690) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-propyl-3,4-dihydropurine-2,6-dione.

Molecular Properties

Compound Name1-propyl-3,4-dihydropurine-2,6-dione
PubChem CID141216690
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-propyl-3,4-dihydropurine-2,6-dione
SMILESCCCN1C(=O)NC2N=CN=C2C1=O
InChIInChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4,6H,2-3H2,1H3,(H,11,14)
InChIKeyDXMWTXSLPFAHLM-UHFFFAOYSA-N
XLogP-0.24
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dihydrouric acid
CID 5315130
Dihydro-1h-purine-2,6-dione
CID 20088927
Methyldihydrouric acid
CID 23617137
Dimethylpropargylxanthine
CID 129675655
d6-Methylguanine
CID 129677008
d6-Ethylguanine
CID 129684450
1-Isobutyl-4-methylxanthine
CID 129718356
Dimethylpropylxanthine
CID 129735825
Uric acid-d3
CID 168433336
1,3-dimethyl-4H-purine-2,6-dione
CID 8525
3,4,8,9-Tetrahydropurine-2,6-dione
CID 68954885
1,2,3,4-Tetrahydropurin-6-one
CID 69438832

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3,4-dihydropurine-2,6-dione?
The IUPAC name of 1-propyl-3,4-dihydropurine-2,6-dione (CID 141216690) is 1-propyl-3,4-dihydropurine-2,6-dione.
What is the SMILES notation for 1-propyl-3,4-dihydropurine-2,6-dione?
The canonical SMILES for 1-propyl-3,4-dihydropurine-2,6-dione is CCCN1C(=O)NC2N=CN=C2C1=O.
What is the InChIKey of 1-propyl-3,4-dihydropurine-2,6-dione?
The InChIKey is DXMWTXSLPFAHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4,6H,2-3H2,1H3,(H,11,14).
What are the key properties of 1-propyl-3,4-dihydropurine-2,6-dione?
1-propyl-3,4-dihydropurine-2,6-dione has a molecular weight of 194.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3,4-dihydropurine-2,6-dione is sourced from PubChem (CID 141216690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).