Chemical ID: 4274939

CCOc1ccc(cc1)Cc2cnc(nc2N)N
Chemical ID:
4274939
Name [?]:
5-[(4-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILES [?]:
CCOc1ccc(cc1)Cc2cnc(nc2N)N
InChi [?]:
InChI=1/C13H16N4O/c1-2-18-11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,10,12,7,11,4,16,14,17,18,13,15,3/E:(3,4)(5,6)/rA:18nCCOCCCCCCCCCNCNCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N4O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.69241
Area:437.504
Solvation:-3.24518
Coulombic:-51.6412
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.292
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:1.64
LogP (Chemaxon):1.9

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Descriptor Annotations

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