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Chemical ID: 6687747
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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