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Chemical ID: 4959273
Chemical ID:
4959273
Name [?]:
pentyl 4-(4-dimethylaminophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CCCCCOC(=O)C1=C(NC(=O)NC1c2ccc(cc2)N(C)C)C
InChi [?]:
InChI=1/C19H27N3O3/c1-5-6-7-12-25-18(23)16-13(2)20-19(24)21-17(16)14-8-10-15(11-9-14)22(3)4/h8-11,17H,5-7,12H2,1-4H3,(H2,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,23,24,2,3,4,17,21,18,20,5,10,16,19,9,15,7,12,11,14,22,8,13,6/E:(3,4)(8,9)(10,11)/rA:25cCCCCCOCOCCNCONCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5083 |
Area: | 567.148 |
Solvation: | -2.67042 |
Coulombic: | -61.2112 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 345.436 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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