7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione

C19H24N6O3 — CID 4830043

IUPAC7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccncc1)n2CCN1CCOCC1
InChIInChI=1S/C19H24N6O3/c1-2-7-25-17-15(18(26)22-19(25)27)24(9-8-23-10-12-28-13-11-23)16(21-17)14-3-5-20-6-4-14/h3-6H,2,7-13H2,1H3,(H,22,26,27)
InChIKeyPYPSETCRFXJOMW-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.69
Rot. Bonds6

About 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione

7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione (PubChem CID 4830043) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione
PubChem CID4830043
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccncc1)n2CCN1CCOCC1
InChIInChI=1S/C19H24N6O3/c1-2-7-25-17-15(18(26)22-19(25)27)24(9-8-23-10-12-28-13-11-23)16(21-17)14-3-5-20-6-4-14/h3-6H,2,7-13H2,1H3,(H,22,26,27)
InChIKeyPYPSETCRFXJOMW-UHFFFAOYSA-N
XLogP0.69
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-morpholin-4-ylethyl)-3-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione
CID 3894446
7-butyl-3-propyl-8-thiophen-3-ylpurine-2,6-dione
CID 2999237
3-butyl-7-methyl-8-(2-morpholin-4-ylpyrimidin-5-yl)purine-2,6-dione
CID 52672405
3-butyl-7-[(2-methoxyphenyl)methyl]-8-pyridin-4-ylpurine-2,6-dione
CID 17462856
8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 66485145
7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione
CID 17433874
4-[2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 1435306
3-butyl-7-ethyl-8-(4-nitrophenyl)purine-2,6-dione
CID 3879767
3-benzyl-7-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione
CID 3428344
6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
CID 2398060
8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione
CID 17407526
(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl (Z)-3-pyridin-4-ylprop-2-enoate
CID 97357650

Frequently Asked Questions

What is the IUPAC name of 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione?
The IUPAC name of 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione (CID 4830043) is 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione.
What is the SMILES notation for 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione?
The canonical SMILES for 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccncc1)n2CCN1CCOCC1.
What is the InChIKey of 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione?
The InChIKey is PYPSETCRFXJOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-2-7-25-17-15(18(26)22-19(25)27)24(9-8-23-10-12-28-13-11-23)16(21-17)14-3-5-20-6-4-14/h3-6H,2,7-13H2,1H3,(H,22,26,27).
What are the key properties of 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione?
7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione has a molecular weight of 384.44 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-morpholin-4-ylethyl)-3-propyl-8-pyridin-4-ylpurine-2,6-dione is sourced from PubChem (CID 4830043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).