7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione

C15H23N5O2 — CID 82465892

IUPAC7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(C1CC1)n2CCCN
InChIInChI=1S/C15H23N5O2/c1-3-8-20-13-11(14(21)18(2)15(20)22)19(9-4-7-16)12(17-13)10-5-6-10/h10H,3-9,16H2,1-2H3
InChIKeyXOAUINLEDWSVTL-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.53
Rot. Bonds6

About 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione

7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione (PubChem CID 82465892) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
PubChem CID82465892
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(C1CC1)n2CCCN
InChIInChI=1S/C15H23N5O2/c1-3-8-20-13-11(14(21)18(2)15(20)22)19(9-4-7-16)12(17-13)10-5-6-10/h10H,3-9,16H2,1-2H3
InChIKeyXOAUINLEDWSVTL-UHFFFAOYSA-N
XLogP0.53
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465978
1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464598
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806
3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464497
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione
CID 11723303
1-(2-aminoethyl)-8-cyclopropyl-7-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 82466419
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
CID 118975757
3-butyl-7-ethyl-1-methyl-8-(methylamino)purine-2,6-dione
CID 82464795

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione?
The IUPAC name of 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione (CID 82465892) is 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione.
What is the SMILES notation for 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione?
The canonical SMILES for 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione is CCCn1c(=O)n(C)c(=O)c2c1nc(C1CC1)n2CCCN.
What is the InChIKey of 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione?
The InChIKey is XOAUINLEDWSVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-8-20-13-11(14(21)18(2)15(20)22)19(9-4-7-16)12(17-13)10-5-6-10/h10H,3-9,16H2,1-2H3.
What are the key properties of 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione?
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione is sourced from PubChem (CID 82465892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).