8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione

C19H24N6O2 — CID 23527111

IUPAC8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
SMILESCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccccn2)n(C)c1=O
InChIInChI=1S/C19H24N6O2/c1-23-16-15(17(26)24(2)19(23)27)25(12-14-10-6-7-11-20-14)18(22-16)21-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,21,22)
InChIKeyWEXCSIHDOKJYKP-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.62
Rot. Bonds4

About 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione

8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione (PubChem CID 23527111) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
PubChem CID23527111
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
SMILESCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccccn2)n(C)c1=O
InChIInChI=1S/C19H24N6O2/c1-23-16-15(17(26)24(2)19(23)27)25(12-14-10-6-7-11-20-14)18(22-16)21-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,21,22)
InChIKeyWEXCSIHDOKJYKP-UHFFFAOYSA-N
XLogP1.62
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-[(2-bromophenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione
CID 1277648
8-(cyclohexylamino)-7-[(2,6-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 23527127
8-(cyclohexylamino)-1,3-dimethyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione
CID 23527110
methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
CID 143302278
8-(cycloheptylamino)-7-[(4-hydroxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 11502157
8-(cyclohexylamino)-1,3-dimethyl-7-[(2-nitrophenyl)methyl]purine-2,6-dione
CID 23527109
8-(cyclohexylamino)-1,3-dimethyl-7-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione
CID 23527117
7-[(3-chloro-4-methoxyphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione
CID 23527089
7-ethyl-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione
CID 663453
8-(cyclohexylamino)-7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 980870
8-(cyclohexylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione;8-(cyclohexylamino)-7-[(4-methoxy-3-methylphenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 158952850
1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 95837242

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione?
The IUPAC name of 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione (CID 23527111) is 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione?
The canonical SMILES for 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione is Cn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccccn2)n(C)c1=O.
What is the InChIKey of 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione?
The InChIKey is WEXCSIHDOKJYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-23-16-15(17(26)24(2)19(23)27)25(12-14-10-6-7-11-20-14)18(22-16)21-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,21,22).
What are the key properties of 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione?
8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione has a molecular weight of 368.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 23527111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).