7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione

C14H21N5O2 — CID 40692634

IUPAC7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione
SMILESCCn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H21N5O2/c1-4-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-7-5-6-9(2)8-18/h9H,4-8H2,1-3H3,(H,16,20,21)/t9-/m1/s1
InChIKeyPFQLKSAAODXJTI-SECBINFHSA-N
MW291.35 g/mol
LogP0.68
Rot. Bonds2

About 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione

7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione (PubChem CID 40692634) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione
PubChem CID40692634
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione
SMILESCCn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H21N5O2/c1-4-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-7-5-6-9(2)8-18/h9H,4-8H2,1-3H3,(H,16,20,21)/t9-/m1/s1
InChIKeyPFQLKSAAODXJTI-SECBINFHSA-N
XLogP0.68
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-8-(3-methylpiperidin-1-yl)-7-pentylpurine-2,6-dione
CID 3996426
3-methyl-7-(3-methylbutyl)-8-[(3S)-3-methylpiperidin-1-yl]purine-2,6-dione
CID 931742
7-ethyl-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione
CID 16812237
3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione
CID 16812242
3-methyl-8-[(3S)-3-methylpiperidin-1-yl]-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione
CID 7011867
7-[3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione
CID 16805157
7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione
CID 42504017
8-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-hexyl-3-methylpurine-2,6-dione
CID 7023479
7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione
CID 16805336
7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1089313
3-methyl-7-[2-methyl-3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propyl]-8-piperidin-1-ylpurine-2,6-dione
CID 44967650
3-methyl-7-[2-[2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethoxy]ethyl]-8-piperidin-1-ylpurine-2,6-dione
CID 3920803

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione?
The IUPAC name of 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione (CID 40692634) is 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione.
What is the SMILES notation for 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione?
The canonical SMILES for 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione is CCn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione?
The InChIKey is PFQLKSAAODXJTI-SECBINFHSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-7-5-6-9(2)8-18/h9H,4-8H2,1-3H3,(H,16,20,21)/t9-/m1/s1.
What are the key properties of 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione?
7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione is sourced from PubChem (CID 40692634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).