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Chemical ID: 7093216

Chemical ID:

7093216

Name [?]:

2-amino-6-(4-fluorophenoxy)-pyrimidin-4-ol

SMILES [?]:

c1cc(ccc1Oc2cc(nc(n2)N)O)F

InChi [?]:

InChI=1/C10H8FN3O2/c11-6-1-3-7(4-2-6)16-9-5-8(15)13-10(12)14-9/h1-5H,(H3,12,13,14,15)

InChi Info:

AuxInfo=1/1/N:2,4,1,5,9,3,6,10,8,12,16,14,11,13,15,7/E:(1,2)(3,4)/rA:16nCCCCCCOCCCNCNNOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s10;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₈FN₃O₂
All Atoms:	24
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	6.08525
Area:	373.918
Solvation:	-3.2627
Coulombic:	-56.1444

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	221.188
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	2.33
LogP (Chemaxon):	2.49

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