8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione

C15H22N4O2 — CID 115925466

IUPAC8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(CC3CCCCC3)nc21
InChIInChI=1S/C15H22N4O2/c1-2-8-19-13-12(14(20)18-15(19)21)16-11(17-13)9-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyPKPULVKDKMQZLZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.95
Rot. Bonds4

About 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione

8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione (PubChem CID 115925466) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione
PubChem CID115925466
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(CC3CCCCC3)nc21
InChIInChI=1S/C15H22N4O2/c1-2-8-19-13-12(14(20)18-15(19)21)16-11(17-13)9-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyPKPULVKDKMQZLZ-UHFFFAOYSA-N
XLogP1.95
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-cyclohexylethyl)-3-ethyl-7H-purine-2,6-dione
CID 115925626
8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione
CID 112568895
8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione
CID 112568856
6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 142874925
8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione
CID 82465287
8-(1-ethylcyclopentyl)-3-propyl-7H-purine-2,6-dione
CID 115925532
5-(2,6-dioxo-3-propyl-7H-purin-8-yl)pentanoic acid
CID 82465294
3-ethyl-8-heptyl-7H-purine-2,6-dione
CID 115925569
3-butyl-8-pyrrolidin-2-yl-7H-purine-2,6-dione
CID 82465375
8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
CID 82465307
8-(3-ethylthiophen-2-yl)-3-propyl-7H-purine-2,6-dione
CID 115925490
8-(1-methylpyrazol-3-yl)-3-propyl-7H-purine-2,6-dione
CID 136785876

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione?
The IUPAC name of 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione (CID 115925466) is 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2[nH]c(CC3CCCCC3)nc21.
What is the InChIKey of 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione?
The InChIKey is PKPULVKDKMQZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-8-19-13-12(14(20)18-15(19)21)16-11(17-13)9-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,16,17)(H,18,20,21).
What are the key properties of 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione?
8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione has a molecular weight of 290.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione is sourced from PubChem (CID 115925466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).