6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine

C18H25N9O — CID 117091753

IUPAC6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCCN3CCOCC3)nc(Nc3ncccn3)nc21
InChIInChI=1S/C18H25N9O/c1-13(2)27-12-22-14-15(19-6-7-26-8-10-28-11-9-26)23-18(24-16(14)27)25-17-20-4-3-5-21-17/h3-5,12-13H,6-11H2,1-2H3,(H2,19,20,21,23,24,25)
InChIKeyGTUSKVBKLTZTFH-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.68
Rot. Bonds7

About 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine

6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine (PubChem CID 117091753) has the molecular formula C18H25N9O and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
PubChem CID117091753
Molecular FormulaC18H25N9O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Name6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCCN3CCOCC3)nc(Nc3ncccn3)nc21
InChIInChI=1S/C18H25N9O/c1-13(2)27-12-22-14-15(19-6-7-26-8-10-28-11-9-26)23-18(24-16(14)27)25-17-20-4-3-5-21-17/h3-5,12-13H,6-11H2,1-2H3,(H2,19,20,21,23,24,25)
InChIKeyGTUSKVBKLTZTFH-UHFFFAOYSA-N
XLogP1.68
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine with MolForge

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Related Compounds

6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117091293
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080592
2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117082508
2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117079543
6-N-(4-morpholin-4-ylphenyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117082186
2-N-[3-(dimethylamino)phenyl]-6-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117086163
1-[3-[[9-propan-2-yl-2-(pyridin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117090692
2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 14417721
6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117083902
6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117091551
4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887559
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636541

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine (CID 117091753) is 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine is CC(C)n1cnc2c(NCCN3CCOCC3)nc(Nc3ncccn3)nc21.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The InChIKey is GTUSKVBKLTZTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N9O/c1-13(2)27-12-22-14-15(19-6-7-26-8-10-28-11-9-26)23-18(24-16(14)27)25-17-20-4-3-5-21-17/h3-5,12-13H,6-11H2,1-2H3,(H2,19,20,21,23,24,25).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine has a molecular weight of 383.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117091753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).