9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine

C12H18N6O — CID 79182824

IUPAC9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine
SMILESCCN1CCOC(Cn2cnc3c(N)ncnc32)C1
InChIInChI=1S/C12H18N6O/c1-2-17-3-4-19-9(5-17)6-18-8-16-10-11(13)14-7-15-12(10)18/h7-9H,2-6H2,1H3,(H2,13,14,15)
InChIKeyKIWYTKFWZFCKRU-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.13
Rot. Bonds3

About 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine

9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine (PubChem CID 79182824) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine
PubChem CID79182824
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine
SMILESCCN1CCOC(Cn2cnc3c(N)ncnc32)C1
InChIInChI=1S/C12H18N6O/c1-2-17-3-4-19-9(5-17)6-18-8-16-10-11(13)14-7-15-12(10)18/h7-9H,2-6H2,1H3,(H2,13,14,15)
InChIKeyKIWYTKFWZFCKRU-UHFFFAOYSA-N
XLogP0.13
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
CID 116620880
5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583459
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine
CID 114707763
6-[(6-aminopurin-9-yl)methyl]-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-3-one
CID 10542134
9-nonylpurin-6-amine
CID 3816519
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114400968
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477
1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
CID 114400808
9-[[(1R,2S)-2-diethoxyphosphorylcyclopropyl]methyl]purin-6-amine
CID 15450660
9-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)purin-6-amine
CID 54769108
[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 79182797

Frequently Asked Questions

What is the IUPAC name of 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine?
The IUPAC name of 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine (CID 79182824) is 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine.
What is the SMILES notation for 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine?
The canonical SMILES for 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine is CCN1CCOC(Cn2cnc3c(N)ncnc32)C1.
What is the InChIKey of 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine?
The InChIKey is KIWYTKFWZFCKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-17-3-4-19-9(5-17)6-18-8-16-10-11(13)14-7-15-12(10)18/h7-9H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine?
9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine has a molecular weight of 262.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-ethylmorpholin-2-yl)methyl]purin-6-amine is sourced from PubChem (CID 79182824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).