3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione

C13H19N5O3 — CID 786577

IUPAC3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione
SMILESCCCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C13H19N5O3/c1-3-4-18-9-10(16(2)13(20)15-11(9)19)14-12(18)17-5-7-21-8-6-17/h3-8H2,1-2H3,(H,15,19,20)
InChIKeyLVQZXLOVPQQNSP-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.33
Rot. Bonds3

About 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione

3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione (PubChem CID 786577) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione
PubChem CID786577
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione
SMILESCCCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C13H19N5O3/c1-3-4-18-9-10(16(2)13(20)15-11(9)19)14-12(18)17-5-7-21-8-6-17/h3-8H2,1-2H3,(H,15,19,20)
InChIKeyLVQZXLOVPQQNSP-UHFFFAOYSA-N
XLogP-0.33
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione?
The IUPAC name of 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione (CID 786577) is 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione.
What is the SMILES notation for 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione?
The canonical SMILES for 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione is CCCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione?
The InChIKey is LVQZXLOVPQQNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-3-4-18-9-10(16(2)13(20)15-11(9)19)14-12(18)17-5-7-21-8-6-17/h3-8H2,1-2H3,(H,15,19,20).
What are the key properties of 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione?
3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione has a molecular weight of 293.33 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-morpholin-4-yl-7-propylpurine-2,6-dione is sourced from PubChem (CID 786577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).