3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione

C24H35N5O3 — CID 21258163

IUPAC3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C34CC5CC(C3)C(C5)C4)nc2n(CCCN2CCOCC2)c1=O
InChIInChI=1S/C24H35N5O3/c1-2-4-29-21(30)19-20(28(23(29)31)6-3-5-27-7-9-32-10-8-27)26-22(25-19)24-13-16-11-17(14-24)18(12-16)15-24/h16-18H,2-15H2,1H3,(H,25,26)
InChIKeyBNZOUQJCFQOKAK-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.10
Rot. Bonds7

About 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione

3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione (PubChem CID 21258163) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
PubChem CID21258163
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C34CC5CC(C3)C(C5)C4)nc2n(CCCN2CCOCC2)c1=O
InChIInChI=1S/C24H35N5O3/c1-2-4-29-21(30)19-20(28(23(29)31)6-3-5-27-7-9-32-10-8-27)26-22(25-19)24-13-16-11-17(14-24)18(12-16)15-24/h16-18H,2-15H2,1H3,(H,25,26)
InChIKeyBNZOUQJCFQOKAK-UHFFFAOYSA-N
XLogP2.10
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione with MolForge

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Related Compounds

1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-3,7-dihydropurine-2,6-dione
CID 21258156
1-(1,1-dideuteriopropyl)-3-propyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
CID 45278986
8-(4-ethenyl-1-bicyclo[2.2.2]octanyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 18767730
4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-oxabicyclo[2.2.2]octane-1-carbaldehyde
CID 18767721
8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 10359295
1,3-dipropyl-8-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]-7H-purine-2,6-dione
CID 18767617
(2S)-2-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]oxy]propanoic acid
CID 20600667
4-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 18767702
2-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]methylamino]acetic acid
CID 18767669
2,6-dioxo-1,3-dipropyl-7H-purine-8-carboxylic acid
CID 57052107
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
8-[4-(2-diethoxyphosphorylethenyl)-1-bicyclo[2.2.2]octanyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 91459113

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione (CID 21258163) is 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(C34CC5CC(C3)C(C5)C4)nc2n(CCCN2CCOCC2)c1=O.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione?
The InChIKey is BNZOUQJCFQOKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-2-4-29-21(30)19-20(28(23(29)31)6-3-5-27-7-9-32-10-8-27)26-22(25-19)24-13-16-11-17(14-24)18(12-16)15-24/h16-18H,2-15H2,1H3,(H,25,26).
What are the key properties of 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione?
3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione has a molecular weight of 441.58 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)-1-propyl-8-(1-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione is sourced from PubChem (CID 21258163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).