3-methyl-7-propyl-4,5-dihydropurine-2,6-dione

C9H14N4O2 — CID 11521330

IUPAC3-methyl-7-propyl-4,5-dihydropurine-2,6-dione
SMILESCCCN1C=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C9H14N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5-7H,3-4H2,1-2H3,(H,11,14,15)
InChIKeyJNJWGRMQKVJCJD-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.38
Rot. Bonds2

About 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione

3-methyl-7-propyl-4,5-dihydropurine-2,6-dione (PubChem CID 11521330) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-7-propyl-4,5-dihydropurine-2,6-dione
PubChem CID11521330
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-methyl-7-propyl-4,5-dihydropurine-2,6-dione
SMILESCCCN1C=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C9H14N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5-7H,3-4H2,1-2H3,(H,11,14,15)
InChIKeyJNJWGRMQKVJCJD-UHFFFAOYSA-N
XLogP-0.38
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1,3,4,5-Tetrahydropurine-2,6-dione
CID 9855531
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
1,3,7-Trimethylxanthine, TMS
CID 427849
(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)-5H-purin-7-ium-7-yl]propanamide
CID 139269336
(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269379
(2S)-2-(1-but-2-ynyl-3-methyl-2,6-dioxo-5H-purin-7-ium-7-yl)propanamide
CID 139269453
2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)-5H-purin-7-ium-7-yl]acetamide
CID 139269499
5-Methylxanthine
CID 129720323
3-methyl-7-propan-2-yl-8-sulfanylidene-5H-purine-2,6-dione
CID 24869251
1,3-Dimethyl-7-(2,2,2-trifluoroethyl)-4,5-dihydropurine-2,6-dione
CID 124086900
1,3,5,7-tetramethyl-4H-purine-2,6-dione
CID 151924081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione (CID 11521330) is 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione is CCCN1C=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione?
The InChIKey is JNJWGRMQKVJCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5-7H,3-4H2,1-2H3,(H,11,14,15).
What are the key properties of 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione?
3-methyl-7-propyl-4,5-dihydropurine-2,6-dione has a molecular weight of 210.24 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 11521330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).