3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione

C15H25N5O2 — CID 73327804

IUPAC3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione
SMILESCC1CCCN(C2=NC3C(C(=O)NC(=O)N3C)N2C(C)C)C1
InChIInChI=1S/C15H25N5O2/c1-9(2)20-11-12(18(4)15(22)17-13(11)21)16-14(20)19-7-5-6-10(3)8-19/h9-12H,5-8H2,1-4H3,(H,17,21,22)
InChIKeyQYWOSJWPISVQBY-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.67
Rot. Bonds1

About 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione

3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione (PubChem CID 73327804) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione
PubChem CID73327804
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione
SMILESCC1CCCN(C2=NC3C(C(=O)NC(=O)N3C)N2C(C)C)C1
InChIInChI=1S/C15H25N5O2/c1-9(2)20-11-12(18(4)15(22)17-13(11)21)16-14(20)19-7-5-6-10(3)8-19/h9-12H,5-8H2,1-4H3,(H,17,21,22)
InChIKeyQYWOSJWPISVQBY-UHFFFAOYSA-N
XLogP0.67
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
5-Isobutylmethylxanthine
CID 129698473
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
8-[4-(2,2-Difluoroethyl)piperazin-1-yl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 133569139
1,3-Dimethyl-7-(4-methylpentyl)-4,5-dihydropurine-2,6-dione
CID 20593838
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
CID 54760769
7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
CID 70129820
1,3-Dimethyl-7-(3-methylpentyl)-4,5-dihydropurine-2,6-dione
CID 91531086
5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690148
1,3-Dimethyl-7-(4-methylpentyl)-4,5-dihydropurine-2,6-dione;1-methyl-2-propan-2-ylpiperidine
CID 162053274
1-azido-3-methylbutane;1,3-dimethyl-5,7-dihydro-4H-purine-2,6-dione
CID 164060970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione (CID 73327804) is 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione is CC1CCCN(C2=NC3C(C(=O)NC(=O)N3C)N2C(C)C)C1.
What is the InChIKey of 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is QYWOSJWPISVQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-9(2)20-11-12(18(4)15(22)17-13(11)21)16-14(20)19-7-5-6-10(3)8-19/h9-12H,5-8H2,1-4H3,(H,17,21,22).
What are the key properties of 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 307.40 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73327804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).