Chemical ID: 4722097

CC(c1ccnc(n1)N)Oc2ccccc2
Chemical ID:
4722097
Name [?]:
4-(1-phenoxyethyl)pyrimidin-2-amine
SMILES [?]:
CC(c1ccnc(n1)N)Oc2ccccc2
InChi [?]:
InChI=1/C12H13N3O/c1-9(11-7-8-14-12(13)15-11)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,4,5,2,11,3,7,9,6,8,10/E:(3,4)(5,6)/rA:16cCCCCCNCNNOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s2;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.9152
Area:400.338
Solvation:-3.09325
Coulombic:-36.1193
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:215.251
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.88
LogP (Chemaxon):2.02

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Descriptor Annotations

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