2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine

C181H225Cl3F8N40 — CID 159935227

IUPAC2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine
SMILESC.CC(C)c1ccnc(-n2cccn2)n1.CC(C)c1ccnc(C(F)F)n1.CC(C)c1nc(Cl)nc2ccccc12.CC(C)c1nc(F)nc2ccccc12.CC(C)c1ncnc2ccc(Cl)cc12.CC(C)c1ncnc2cccc(Cl)c12.CC(C)c1ncncc1-n1cccn1.CC(C)c1ncncc1C(F)F.Cc1cc(C(C)C)ncn1.Cc1ccc2c(C(C)C)ncnc2c1.Cc1ccc2ncnc(C(C)C)c2c1.Cc1cccc2c(C(C)C)ncnc12.Cc1cccc2ncnc(C(C)C)c12.Cc1cnc(C(F)(F)F)nc1C(C)C.Cc1cncnc1C(C)C.Cc1ncc(C)c(C(C)C)n1.Cc1ncnc(C(C)C)c1C.Cc1ncnc(C(C)C)c1C
InChIInChI=1S/4C12H14N2.3C11H11ClN2.C11H11FN2.2C10H12N4.C9H11F3N2.3C9H14N2.2C8H10F2N2.2C8H12N2.CH4/c1-8(2)12-10-6-9(3)4-5-11(10)13-7-14-12;1-8(2)12-10-5-4-9(3)6-11(10)13-7-14-12;1-8(2)12-11-9(3)5-4-6-10(11)13-7-14-12;1-8(2)11-10-6-4-5-9(3)12(10)14-7-13-11;1-7(2)11-9-5-8(12)3-4-10(9)13-6-14-11;1-7(2)11-10-8(12)4-3-5-9(10)13-6-14-11;2*1-7(2)10-8-5-3-4-6-9(8)13-11(12)14-10;1-8(2)9-4-6-11-10(13-9)14-7-3-5-12-14;1-8(2)10-9(6-11-7-12-10)14-5-3-4-13-14;1-5(2)7-6(3)4-13-8(14-7)9(10,11)12;2*1-6(2)9-7(3)8(4)10-5-11-9;1-6(2)9-7(3)5-10-8(4)11-9;1-5(2)7-6(8(9)10)3-11-4-12-7;1-5(2)6-3-4-11-8(12-6)7(9)10;1-6(2)8-7(3)4-9-5-10-8;1-6(2)8-4-7(3)9-5-10-8;/h4*4-8H,1-3H3;4*3-7H,1-2H3;2*3-8H,1-2H3;4-5H,1-3H3;3*5-6H,1-4H3;3-5,8H,1-2H3;3-5,7H,1-2H3;2*4-6H,1-3H3;1H4
InChIKeyOADVVADYWHZIGB-UHFFFAOYSA-N
MW3219.41 g/mol
LogP48.04
Rot. Bonds22

About 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine

2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine (PubChem CID 159935227) has the molecular formula C181H225Cl3F8N40 and a molecular weight of 3219.41 g/mol. Its IUPAC name is 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine
PubChem CID159935227
Molecular FormulaC181H225Cl3F8N40
Molecular Weight3219.41 g/mol
Exact Mass3215.78
IUPAC Name2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine
SMILESC.CC(C)c1ccnc(-n2cccn2)n1.CC(C)c1ccnc(C(F)F)n1.CC(C)c1nc(Cl)nc2ccccc12.CC(C)c1nc(F)nc2ccccc12.CC(C)c1ncnc2ccc(Cl)cc12.CC(C)c1ncnc2cccc(Cl)c12.CC(C)c1ncncc1-n1cccn1.CC(C)c1ncncc1C(F)F.Cc1cc(C(C)C)ncn1.Cc1ccc2c(C(C)C)ncnc2c1.Cc1ccc2ncnc(C(C)C)c2c1.Cc1cccc2c(C(C)C)ncnc12.Cc1cccc2ncnc(C(C)C)c12.Cc1cnc(C(F)(F)F)nc1C(C)C.Cc1cncnc1C(C)C.Cc1ncc(C)c(C(C)C)n1.Cc1ncnc(C(C)C)c1C.Cc1ncnc(C(C)C)c1C
InChIInChI=1S/4C12H14N2.3C11H11ClN2.C11H11FN2.2C10H12N4.C9H11F3N2.3C9H14N2.2C8H10F2N2.2C8H12N2.CH4/c1-8(2)12-10-6-9(3)4-5-11(10)13-7-14-12;1-8(2)12-10-5-4-9(3)6-11(10)13-7-14-12;1-8(2)12-11-9(3)5-4-6-10(11)13-7-14-12;1-8(2)11-10-6-4-5-9(3)12(10)14-7-13-11;1-7(2)11-9-5-8(12)3-4-10(9)13-6-14-11;1-7(2)11-10-8(12)4-3-5-9(10)13-6-14-11;2*1-7(2)10-8-5-3-4-6-9(8)13-11(12)14-10;1-8(2)9-4-6-11-10(13-9)14-7-3-5-12-14;1-8(2)10-9(6-11-7-12-10)14-5-3-4-13-14;1-5(2)7-6(3)4-13-8(14-7)9(10,11)12;2*1-6(2)9-7(3)8(4)10-5-11-9;1-6(2)9-7(3)5-10-8(4)11-9;1-5(2)7-6(8(9)10)3-11-4-12-7;1-5(2)6-3-4-11-8(12-6)7(9)10;1-6(2)8-7(3)4-9-5-10-8;1-6(2)8-4-7(3)9-5-10-8;/h4*4-8H,1-3H3;4*3-7H,1-2H3;2*3-8H,1-2H3;4-5H,1-3H3;3*5-6H,1-4H3;3-5,8H,1-2H3;3-5,7H,1-2H3;2*4-6H,1-3H3;1H4
InChIKeyOADVVADYWHZIGB-UHFFFAOYSA-N
XLogP48.04
TPSA499.68 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds22
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003219.41
LogP ≤ 548.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methylquinolin-2-amine;bis(4-tert-butyl-7-methylquinoline);1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline
CID 157218335
7-Chloro-4-propan-2-ylquinazoline;8-chloro-4-propan-2-ylquinazoline;4-(difluoromethyl)-6-propan-2-ylpyrimidine;6,7-difluoro-4-propan-2-ylquinazoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;bis(2-methyl-4-propan-2-ylquinazoline);4-propan-2-yl-6-pyrazol-1-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-ylquinazoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157493603
7-Chloro-4-propan-2-ylquinoline;8-chloro-4-propan-2-ylquinoline;2-(difluoromethyl)-4-propan-2-ylpyridine;6,7-difluoro-4-propan-2-ylquinoline;bis(2,4-dimethyl-6-propan-2-ylpyrimidine);7-fluoro-2-methyl-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;6-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;8-fluoro-4-propan-2-ylquinoline;bis(2-methyl-4-propan-2-ylquinazoline);7-methyl-4-propan-2-ylquinoline;4-propan-2-yl-2-pyrazol-1-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157862209
1-Chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-isocyano-2-methylbenzene;3-methylbenzonitrile;4-methylbenzonitrile;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);1,3-xylene;1,4-xylene
CID 158591447
2-Chloro-5-methyl-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinoline;6-chloro-4-propan-2-ylquinoline;3-(difluoromethyl)-4-propan-2-ylpyridine;2-(difluoromethyl)-4-propan-2-ylpyrimidine;bis(2,3-dimethyl-4-propan-2-ylpyridine);2,5-dimethyl-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylquinazoline;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-ylquinoline;bis(6-methyl-4-propan-2-ylquinoline);7-methyl-4-propan-2-ylquinoline;8-methyl-4-propan-2-ylquinoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-3-pyrazol-1-ylpyridine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)quinazoline;4-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158704971
2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
CID 158840478
2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole)
CID 159006029
1-(4-chloro-2,5-dimethylphenyl)pyrrole;1-(5-chloro-2,4-dimethylphenyl)pyrrole;1-methyl-3-propan-2-ylbenzene;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrole;5-[2-methyl-4-(trifluoromethyl)phenyl]-5H-tetrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 159205993
2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine
CID 159457973
5-Chloro-4-propan-2-ylquinoline;6-chloro-4-propan-2-ylquinoline;3-(difluoromethyl)-4-propan-2-ylpyridine;2-(difluoromethyl)-4-propan-2-ylpyrimidine;bis(2,3-dimethyl-4-propan-2-ylpyridine);2,5-dimethyl-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;bis(2-methyl-4-propan-2-ylquinazoline);5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;8-methyl-4-propan-2-ylquinoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-3-pyrazol-1-ylpyridine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-2-(trifluoromethyl)quinazoline
CID 159971755
2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
CID 160003142
CID 161591151
CID 161591151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine?
The IUPAC name of 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine (CID 159935227) is 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine?
The canonical SMILES for 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine is C.CC(C)c1ccnc(-n2cccn2)n1.CC(C)c1ccnc(C(F)F)n1.CC(C)c1nc(Cl)nc2ccccc12.CC(C)c1nc(F)nc2ccccc12.CC(C)c1ncnc2ccc(Cl)cc12.CC(C)c1ncnc2cccc(Cl)c12.CC(C)c1ncncc1-n1cccn1.CC(C)c1ncncc1C(F)F.Cc1cc(C(C)C)ncn1.Cc1ccc2c(C(C)C)ncnc2c1.Cc1ccc2ncnc(C(C)C)c2c1.Cc1cccc2c(C(C)C)ncnc12.Cc1cccc2ncnc(C(C)C)c12.Cc1cnc(C(F)(F)F)nc1C(C)C.Cc1cncnc1C(C)C.Cc1ncc(C)c(C(C)C)n1.Cc1ncnc(C(C)C)c1C.Cc1ncnc(C(C)C)c1C.
What is the InChIKey of 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine?
The InChIKey is OADVVADYWHZIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H14N2.3C11H11ClN2.C11H11FN2.2C10H12N4.C9H11F3N2.3C9H14N2.2C8H10F2N2.2C8H12N2.CH4/c1-8(2)12-10-6-9(3)4-5-11(10)13-7-14-12;1-8(2)12-10-5-4-9(3)6-11(10)13-7-14-12;1-8(2)12-11-9(3)5-4-6-10(11)13-7-14-12;1-8(2)11-10-6-4-5-9(3)12(10)14-7-13-11;1-7(2)11-9-5-8(12)3-4-10(9)13-6-14-11;1-7(2)11-10-8(12)4-3-5-9(10)13-6-14-11;2*1-7(2)10-8-5-3-4-6-9(8)13-11(12)14-10;1-8(2)9-4-6-11-10(13-9)14-7-3-5-12-14;1-8(2)10-9(6-11-7-12-10)14-5-3-4-13-14;1-5(2)7-6(3)4-13-8(14-7)9(10,11)12;2*1-6(2)9-7(3)8(4)10-5-11-9;1-6(2)9-7(3)5-10-8(4)11-9;1-5(2)7-6(8(9)10)3-11-4-12-7;1-5(2)6-3-4-11-8(12-6)7(9)10;1-6(2)8-7(3)4-9-5-10-8;1-6(2)8-4-7(3)9-5-10-8;/h4*4-8H,1-3H3;4*3-7H,1-2H3;2*3-8H,1-2H3;4-5H,1-3H3;3*5-6H,1-4H3;3-5,8H,1-2H3;3-5,7H,1-2H3;2*4-6H,1-3H3;1H4.
What are the key properties of 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine?
2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine has a molecular weight of 3219.41 g/mol, XLogP of 48.04, 22 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-ylquinazoline;5-chloro-4-propan-2-ylquinazoline;6-chloro-4-propan-2-ylquinazoline;2-(difluoromethyl)-4-propan-2-ylpyrimidine;5-(difluoromethyl)-4-propan-2-ylpyrimidine;2,5-dimethyl-4-propan-2-ylpyrimidine;bis(4,5-dimethyl-6-propan-2-ylpyrimidine);2-fluoro-4-propan-2-ylquinazoline;methane;4-methyl-6-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylquinazoline;6-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinazoline;8-methyl-4-propan-2-ylquinazoline;5-methyl-4-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-pyrazol-1-ylpyrimidine;4-propan-2-yl-5-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 159935227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).