Chemical ID: 6687747

C1CC1Nc2nc(c(c(n2)N)C#N)N
Chemical ID:
6687747
Name [?]:
4,6-diamino-2-cyclopropylamino-pyrimidine-5-carbonitrile
SMILES [?]:
C1CC1Nc2nc(c(c(n2)N)C#N)N
InChi [?]:
InChI=1/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,12,3,8,7,9,5,13,14,11,4,6,10/E:(1,2)(6,7)(10,11)(13,14)/rA:14nCCCNCNCCCNNCNN/rB:s1;s1s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s8;t12;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N6
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.79468
Area:373.168
Solvation:-1.53451
Coulombic:-59.5572
Bond Count [?]
All:15
Single:11
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.205
H-Bond Donors:5
H-Bond Acceptors:4
XLogP:0.83
LogP (Chemaxon):0.21

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Descriptor Annotations

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