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Chemical ID: 6720581

Chemical ID:

6720581

Name [?]:

6-(2,6-dimethylmorpholin-4-yl)-7H-purine

SMILES [?]:

CC1CN(CC(O1)C)c2c3c(nc[nH]3)ncn2

InChi [?]:

InChI=1/C11H15N5O/c1-7-3-16(4-8(2)17-7)11-9-10(13-5-12-9)14-6-15-11/h5-8H,3-4H2,1-2H3,(H,12,13,14,15)

InChi Info:

AuxInfo=1/1/N:1,8,3,5,13,16,2,6,10,11,9,14,12,15,17,4,7/E:(1,2)(3,4)(7,8)/rA:17cCCCNCCOCCCCNCNNCN/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;d10;s11;d12;s10s13;s11;d15;d9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₅N₅O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	2

ZAP Information [?]

Total:	7.01093
Area:	399.264
Solvation:	-2.97068
Coulombic:	-42.8657

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	233.27
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	1.21
LogP (Chemaxon):	1.33

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value