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

C14H23N5O3 — CID 73327765

IUPAC7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
SMILESCC1CCN(C2=NC3C(C(=O)NC(=O)N3C)N2CCO)CC1
InChIInChI=1S/C14H23N5O3/c1-9-3-5-18(6-4-9)13-15-11-10(19(13)7-8-20)12(21)16-14(22)17(11)2/h9-11,20H,3-8H2,1-2H3,(H,16,21,22)
InChIKeyZPNGTXHNHQHRLO-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.74
Rot. Bonds2

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

7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione (PubChem CID 73327765) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
PubChem CID73327765
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
SMILESCC1CCN(C2=NC3C(C(=O)NC(=O)N3C)N2CCO)CC1
InChIInChI=1S/C14H23N5O3/c1-9-3-5-18(6-4-9)13-15-11-10(19(13)7-8-20)12(21)16-14(22)17(11)2/h9-11,20H,3-8H2,1-2H3,(H,16,21,22)
InChIKeyZPNGTXHNHQHRLO-UHFFFAOYSA-N
XLogP-0.74
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-Hydroxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 73257360
7-(2-Hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
CID 73327266
7-Ethyl-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-4,5-dihydropurine-2,6-dione
CID 73327293
8-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-methyl-7-propyl-4,5-dihydropurine-2,6-dione
CID 73327295
3-Methyl-8-(4-methylpiperidin-1-yl)-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 73327766
7-(2-Hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327767
7-(2,3-Dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327768
7-(2-Hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327769
3-Methyl-8-(4-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione
CID 73327783
3-Methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-4,5-dihydropurine-2,6-dione
CID 73327804
3-Methyl-8-(3-methylpiperidin-1-yl)-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 73327805
7-(2-Hydroxypropyl)-3-methyl-8-(3-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327834

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione (CID 73327765) is 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione is CC1CCN(C2=NC3C(C(=O)NC(=O)N3C)N2CCO)CC1.
What is the InChIKey of 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The InChIKey is ZPNGTXHNHQHRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-9-3-5-18(6-4-9)13-15-11-10(19(13)7-8-20)12(21)16-14(22)17(11)2/h9-11,20H,3-8H2,1-2H3,(H,16,21,22).
What are the key properties of 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione has a molecular weight of 309.37 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73327765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).