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

C15H25N5O3 — CID 73327767

IUPAC7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
SMILESCC(O)CN1C(N2CCC(C)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H25N5O3/c1-9-4-6-19(7-5-9)14-16-12-11(20(14)8-10(2)21)13(22)17-15(23)18(12)3/h9-12,21H,4-8H2,1-3H3,(H,17,22,23)
InChIKeyVOPZWDUFXCGCQH-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.35
Rot. Bonds2

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

7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione (PubChem CID 73327767) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
PubChem CID73327767
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
SMILESCC(O)CN1C(N2CCC(C)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H25N5O3/c1-9-4-6-19(7-5-9)14-16-12-11(20(14)8-10(2)21)13(22)17-15(23)18(12)3/h9-12,21H,4-8H2,1-3H3,(H,17,22,23)
InChIKeyVOPZWDUFXCGCQH-UHFFFAOYSA-N
XLogP-0.35
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-Hydroxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 73257360
7-(2-Hydroxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
CID 73327267
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
8-(2-hydroxypropylamino)-1,3-dimethyl-7-(2-methylpropyl)-5H-purin-7-ium-2,6-dione
CID 73327309
7-(2-Hydroxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 73327765
3-Methyl-8-(4-methylpiperidin-1-yl)-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 73327766
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

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione (CID 73327767) is 7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione is CC(O)CN1C(N2CCC(C)CC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
The InChIKey is VOPZWDUFXCGCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-9-4-6-19(7-5-9)14-16-12-11(20(14)8-10(2)21)13(22)17-15(23)18(12)3/h9-12,21H,4-8H2,1-3H3,(H,17,22,23).
What are the key properties of 7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione?
7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione has a molecular weight of 323.40 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73327767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).