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

C15H25N5O4 — CID 73327768

IUPAC7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
SMILESCC1CCN(C2=NC3C(C(=O)NC(=O)N3C)N2CC(O)CO)CC1
InChIInChI=1S/C15H25N5O4/c1-9-3-5-19(6-4-9)14-16-12-11(20(14)7-10(22)8-21)13(23)17-15(24)18(12)2/h9-12,21-22H,3-8H2,1-2H3,(H,17,23,24)
InChIKeyDJWVHDYABSROPY-UHFFFAOYSA-N
MW339.40 g/mol
LogP-1.38
Rot. Bonds3

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

7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione (PubChem CID 73327768) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
PubChem CID73327768
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
SMILESCC1CCN(C2=NC3C(C(=O)NC(=O)N3C)N2CC(O)CO)CC1
InChIInChI=1S/C15H25N5O4/c1-9-3-5-19(6-4-9)14-16-12-11(20(14)7-10(22)8-21)13(23)17-15(24)18(12)2/h9-12,21-22H,3-8H2,1-2H3,(H,17,23,24)
InChIKeyDJWVHDYABSROPY-UHFFFAOYSA-N
XLogP-1.38
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2,3-Dihydroxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
CID 73327274
7-(2-Hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327765
7-(2-Hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327767
7-(2-Hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327769
7-(2-Hydroxy-3-prop-2-enoxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327770
7-(2-Hydroxypropyl)-3-methyl-8-(3-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327834
2-[3-Methyl-8-(4-methylpiperidin-1-yl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid
CID 74415402
7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-5H-purin-7-ium-2,6-dione
CID 74443585
7-(2,3-dihydroxypropyl)-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-5H-purin-7-ium-2,6-dione
CID 74443587
7-(2-Hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 74688363
7-(2-Hydroxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78203621
8-[Bis(2-hydroxyethyl)amino]-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione
CID 78204186

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione (CID 73327768) is 7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione is CC1CCN(C2=NC3C(C(=O)NC(=O)N3C)N2CC(O)CO)CC1.
What is the InChIKey of 7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The InChIKey is DJWVHDYABSROPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-9-3-5-19(6-4-9)14-16-12-11(20(14)7-10(22)8-21)13(23)17-15(24)18(12)2/h9-12,21-22H,3-8H2,1-2H3,(H,17,23,24).
What are the key properties of 7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione has a molecular weight of 339.40 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73327768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).