N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine

C18H22N6O — CID 99810697

IUPACN-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H22N6O/c1-13(23-18-16-17(20-11-19-16)21-12-22-18)15-10-24(7-8-25-15)9-14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H2,19,20,21,22,23)/t13-,15-/m0/s1
InChIKeyAYLRCFOCNYVICK-ZFWWWQNUSA-N
MW338.41 g/mol
LogP2.05
Rot. Bonds5

About N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine

N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine (PubChem CID 99810697) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine
PubChem CID99810697
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC NameN-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H22N6O/c1-13(23-18-16-17(20-11-19-16)21-12-22-18)15-10-24(7-8-25-15)9-14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H2,19,20,21,22,23)/t13-,15-/m0/s1
InChIKeyAYLRCFOCNYVICK-ZFWWWQNUSA-N
XLogP2.05
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
6-[[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]amino]pyridine-3-carbonitrile
CID 97216224
N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133420372
N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine
CID 108773228
(1R)-1-[(2R)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
CID 97229017
(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
CID 97229015
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
CID 89203711
CID 89203711
1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile
CID 133364280
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide
CID 95981592
N-[1-[8-chloro-1-(morpholin-4-ylmethyl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 76512557

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine (CID 99810697) is N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine is C[C@H](Nc1ncnc2nc[nH]c12)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine?
The InChIKey is AYLRCFOCNYVICK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13(23-18-16-17(20-11-19-16)21-12-22-18)15-10-24(7-8-25-15)9-14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H2,19,20,21,22,23)/t13-,15-/m0/s1.
What are the key properties of N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine?
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine has a molecular weight of 338.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 99810697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).