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

C19H26N8O — CID 117091293

IUPAC6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCCN3CCOCC3)nc(Nc3ccncc3)nc21
InChIInChI=1S/C19H26N8O/c1-14(2)27-13-22-16-17(21-7-8-26-9-11-28-12-10-26)24-19(25-18(16)27)23-15-3-5-20-6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H2,20,21,23,24,25)
InChIKeyMWZFZFDFPDPLDK-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.29
Rot. Bonds7

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

6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine (PubChem CID 117091293) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine
PubChem CID117091293
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCCN3CCOCC3)nc(Nc3ccncc3)nc21
InChIInChI=1S/C19H26N8O/c1-14(2)27-13-22-16-17(21-7-8-26-9-11-28-12-10-26)24-19(25-18(16)27)23-15-3-5-20-6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H2,20,21,23,24,25)
InChIKeyMWZFZFDFPDPLDK-UHFFFAOYSA-N
XLogP2.29
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117091753
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
1-[3-[[9-propan-2-yl-2-(pyridin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117090692
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
9-propan-2-yl-6-N-propyl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117080663
6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117083902
9-propan-2-yl-2-N-pyridin-4-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117085414
6-N-(2-morpholin-4-ylethyl)-9-thiophen-3-yl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117080037
2-N-[3-(dimethylamino)phenyl]-6-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117086163
6-N-[2-[di(propan-2-yl)amino]ethyl]-9-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117079588

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine (CID 117091293) is 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine is CC(C)n1cnc2c(NCCN3CCOCC3)nc(Nc3ccncc3)nc21.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine?
The InChIKey is MWZFZFDFPDPLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-14(2)27-13-22-16-17(21-7-8-26-9-11-28-12-10-26)24-19(25-18(16)27)23-15-3-5-20-6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H2,20,21,23,24,25).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine?
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine has a molecular weight of 382.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyridin-4-ylpurine-2,6-diamine is sourced from PubChem (CID 117091293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).