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

C17H29N5O4 — CID 78215308

IUPAC7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)OCC(O)CN1C(N2CCCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C17H29N5O4/c1-11(2)26-10-12(23)9-22-13-14(20(3)17(25)19-15(13)24)18-16(22)21-7-5-4-6-8-21/h11-14,23H,4-10H2,1-3H3,(H,19,24,25)
InChIKeyXRLUERBKVXKQEV-UHFFFAOYSA-N
MW367.45 g/mol
LogP-0.19
Rot. Bonds5

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

7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione (PubChem CID 78215308) has the molecular formula C17H29N5O4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
PubChem CID78215308
Molecular FormulaC17H29N5O4
Molecular Weight367.45 g/mol
Exact Mass367.22
IUPAC Name7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)OCC(O)CN1C(N2CCCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C17H29N5O4/c1-11(2)26-10-12(23)9-22-13-14(20(3)17(25)19-15(13)24)18-16(22)21-7-5-4-6-8-21/h11-14,23H,4-10H2,1-3H3,(H,19,24,25)
InChIKeyXRLUERBKVXKQEV-UHFFFAOYSA-N
XLogP-0.19
TPSA97.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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-Hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
CID 73327275
2-[4-[7-(2-Ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
CID 73327412
7-(2-Hydroxy-3-prop-2-enoxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327503
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
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
7-(2-Hydroxy-3-prop-2-enoxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
CID 73452750
2-[8-(2,6-Dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid
CID 74415397
8-(Cyclohexylamino)-7-(2-hydroxy-3-prop-2-enoxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 74688340

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione (CID 78215308) is 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione is CC(C)OCC(O)CN1C(N2CCCCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is XRLUERBKVXKQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O4/c1-11(2)26-10-12(23)9-22-13-14(20(3)17(25)19-15(13)24)18-16(22)21-7-5-4-6-8-21/h11-14,23H,4-10H2,1-3H3,(H,19,24,25).
What are the key properties of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 367.45 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78215308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).