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Chemical ID: 5283929
Chemical ID:
5283929
Name [?]:
4,7-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-quinazolin-2-amine
SMILES [?]:
Cc1ccc2c(nc(nc2c1)Nc3nc(c4c(n3)CCCC4)C)C
InChi [?]:
InChI=1/C19H21N5/c1-11-8-9-15-13(3)21-19(23-17(15)10-11)24-18-20-12(2)14-6-4-5-7-16(14)22-18/h8-10H,4-7H2,1-3H3,(H,20,21,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,21,20,22,19,3,4,11,2,15,6,16,5,17,10,13,8,14,7,18,9,12/rA:24nCCCCCCNCNCCNCNCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s8;s12;s13;d14;s15;d16;d13s17;s17;s19;s20;s16s21;s15;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4008 |
Area: | 505.313 |
Solvation: | -2.23197 |
Coulombic: | -34.3573 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 319.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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