2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol

C16H25N7O2 — CID 117094178

IUPAC2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol
SMILESOCCNc1nc(N2CCC(N3CCOCC3)CC2)nc2nc[nH]c12
InChIInChI=1S/C16H25N7O2/c24-8-3-17-14-13-15(19-11-18-13)21-16(20-14)23-4-1-12(2-5-23)22-6-9-25-10-7-22/h11-12,24H,1-10H2,(H2,17,18,19,20,21)
InChIKeyIXBBHDGYWAWVNC-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.06
Rot. Bonds5

About 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol

2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol (PubChem CID 117094178) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol
PubChem CID117094178
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC Name2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol
SMILESOCCNc1nc(N2CCC(N3CCOCC3)CC2)nc2nc[nH]c12
InChIInChI=1S/C16H25N7O2/c24-8-3-17-14-13-15(19-11-18-13)21-16(20-14)23-4-1-12(2-5-23)22-6-9-25-10-7-22/h11-12,24H,1-10H2,(H2,17,18,19,20,21)
InChIKeyIXBBHDGYWAWVNC-UHFFFAOYSA-N
XLogP0.06
TPSA102.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine
CID 117079282
2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 117081727
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol
CID 117081323
2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
CID 87725250
9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
CID 117085252
2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine
CID 154843471
N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117082534
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 71109457
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117080800
1-[2-[6-[2-(4-hydroxyphenyl)ethylamino]-2-(4-morpholin-4-ylpiperidin-1-yl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117079092
2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078995
N-[2-(4-morpholin-4-ylpiperidin-1-yl)-9-phenylpurin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117085150

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol (CID 117094178) is 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol is OCCNc1nc(N2CCC(N3CCOCC3)CC2)nc2nc[nH]c12.
What is the InChIKey of 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol?
The InChIKey is IXBBHDGYWAWVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c24-8-3-17-14-13-15(19-11-18-13)21-16(20-14)23-4-1-12(2-5-23)22-6-9-25-10-7-22/h11-12,24H,1-10H2,(H2,17,18,19,20,21).
What are the key properties of 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol?
2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol has a molecular weight of 347.42 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol is sourced from PubChem (CID 117094178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).