methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione

C20H27N5O2 — CID 143302278

IUPACmethylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
SMILESCC1CCCC1.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccn1
InChIInChI=1S/C14H15N5O2.C6H12/c1-9-16-12-11(13(20)18(3)14(21)17(12)2)19(9)8-10-6-4-5-7-15-10;1-6-4-2-3-5-6/h4-7H,8H2,1-3H3;6H,2-5H2,1H3
InChIKeyKGPYYQYCQXUUOX-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.38
Rot. Bonds2

About methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione

methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione (PubChem CID 143302278) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Namemethylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
PubChem CID143302278
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Namemethylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
SMILESCC1CCCC1.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccn1
InChIInChI=1S/C14H15N5O2.C6H12/c1-9-16-12-11(13(20)18(3)14(21)17(12)2)19(9)8-10-6-4-5-7-15-10;1-6-4-2-3-5-6/h4-7H,8H2,1-3H3;6H,2-5H2,1H3
InChIKeyKGPYYQYCQXUUOX-UHFFFAOYSA-N
XLogP2.38
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
CID 23527111
7-(4-fluorophenyl)-2,4-dimethyl-6-(pyridin-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione
CID 1046211
7-ethyl-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione
CID 663453
1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 95837242
7-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-trimethylpurine-2,6-dione;ethyl 4-methylcycloheptane-1-carboxylate
CID 142853742
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-(pyridin-2-ylmethyl)purine-2,6-dione
CID 68861499
1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-phenylethyl)purine-2,6-dione
CID 665979
7-[(2-bromophenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione
CID 1277648
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione
CID 4589910
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1107302
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione
CID 90403809
7-ethyl-1,3,8-trimethylpurine-2,6-dione;N-methylmethanamine
CID 20562628

Frequently Asked Questions

What is the IUPAC name of methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione?
The IUPAC name of methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione (CID 143302278) is methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione.
What is the SMILES notation for methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione?
The canonical SMILES for methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione is CC1CCCC1.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccn1.
What is the InChIKey of methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione?
The InChIKey is KGPYYQYCQXUUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2.C6H12/c1-9-16-12-11(13(20)18(3)14(21)17(12)2)19(9)8-10-6-4-5-7-15-10;1-6-4-2-3-5-6/h4-7H,8H2,1-3H3;6H,2-5H2,1H3.
What are the key properties of methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione?
methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione has a molecular weight of 369.47 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 143302278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).