2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine

C15H23N7O2 — CID 117081727

IUPAC2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
SMILESc1nc2nc(N3CCOCC3)nc(NCCN3CCOCC3)c2[nH]1
InChIInChI=1S/C15H23N7O2/c1(2-21-3-7-23-8-4-21)16-13-12-14(18-11-17-12)20-15(19-13)22-5-9-24-10-6-22/h11H,1-10H2,(H2,16,17,18,19,20)
InChIKeyJNFCJRALQLOHPH-UHFFFAOYSA-N
MW333.40 g/mol
LogP-0.07
Rot. Bonds5

About 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine

2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine (PubChem CID 117081727) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
PubChem CID117081727
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
SMILESc1nc2nc(N3CCOCC3)nc(NCCN3CCOCC3)c2[nH]1
InChIInChI=1S/C15H23N7O2/c1(2-21-3-7-23-8-4-21)16-13-12-14(18-11-17-12)20-15(19-13)22-5-9-24-10-6-22/h11H,1-10H2,(H2,16,17,18,19,20)
InChIKeyJNFCJRALQLOHPH-UHFFFAOYSA-N
XLogP-0.07
TPSA91.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 71109457
2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol
CID 117094178
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol
CID 117081323
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
N-(3-butyl-2-methylbenzimidazol-5-yl)-2-morpholin-4-yl-7H-purin-6-amine
CID 155814812
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117080800
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine
CID 2155093
4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
CID 135709667
9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
CID 117085252
N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine
CID 108773228
N-(2-morpholin-4-ylethyl)-8-thiophen-2-yl-7H-purin-6-amine
CID 117090345

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine?
The IUPAC name of 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine (CID 117081727) is 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine?
The canonical SMILES for 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine is c1nc2nc(N3CCOCC3)nc(NCCN3CCOCC3)c2[nH]1.
What is the InChIKey of 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine?
The InChIKey is JNFCJRALQLOHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1(2-21-3-7-23-8-4-21)16-13-12-14(18-11-17-12)20-15(19-13)22-5-9-24-10-6-22/h11H,1-10H2,(H2,16,17,18,19,20).
What are the key properties of 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine?
2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine has a molecular weight of 333.40 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine is sourced from PubChem (CID 117081727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).