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Chemical ID: 4712165
Chemical ID:
4712165
Name [?]:
(4-methyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)-pyrrolidin-1-yl-methanone
SMILES [?]:
Cc1c(cnc(n1)N2CCCC2)C(=O)N3CCCC3
InChi [?]:
InChI=1/C14H20N4O/c1-11-12(13(19)17-6-2-3-7-17)10-15-14(16-11)18-8-4-5-9-18/h10H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,10,11,16,19,9,12,4,2,3,13,6,5,7,15,8,14/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCCCNCNNCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s8s11;s3;d13;s13;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N4O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59991 |
Area: | 443.389 |
Solvation: | -2.48481 |
Coulombic: | -34.3049 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.54 |
LogP (Chemaxon): | 0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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