Chemical ID: 4775438

Cc1c(c(nc(n1)SC(C)C=C)O)Cc2ccc(cc2)F
Chemical ID:
4775438
Name [?]:
5-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylprop-2-enylsulfanyl)pyrimidin-4-ol
SMILES [?]:
Cc1c(c(nc(n1)SC(C)C=C)O)Cc2ccc(cc2)F
InChi [?]:
InChI=1/C16H17FN2OS/c1-4-10(2)21-16-18-11(3)14(15(20)19-16)9-12-5-7-13(17)8-6-12/h4-8,10H,1,9H2,2-3H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:12,10,1,11,16,20,17,19,14,9,2,15,18,3,4,6,21,7,5,13,8/E:(5,6)(7,8)/rA:21cCCCCNCNSCCCCOCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s4;s3;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17FN2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.18689
Area:487.124
Solvation:-2.99122
Coulombic:-35.1493
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.383
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.76
LogP (Chemaxon):4.99

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