3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one

C88H104Cl6N26O2S7 — CID 160994075

IUPAC3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1noc(C)c1CSc1nc(C)cc(=O)[nH]1.CCn1c(CSc2nc(C)cc(C)n2)cnc1Cl.Cc1cc(C)nc(SCc2c(Cl)cncc2Cl)n1.Cc1cc(C)nc(SCc2c(Cl)ncn2C)n1.Cc1cc(C)nc(SCc2cnc(Cl)n2C(C)C)n1.Cc1cc(C)nc(SCc2cncn2CC(C)C)n1.Cc1cc(C)nc(SCc2nc3ccccn3c2Cl)n1
InChIInChI=1S/C14H13ClN4S.C14H20N4S.C13H17ClN4S.C12H11Cl2N3S.C12H15ClN4S.C12H15N3O2S.C11H13ClN4S/c1-9-7-10(2)17-14(16-9)20-8-11-13(15)19-6-4-3-5-12(19)18-11;1-10(2)7-18-9-15-6-13(18)8-19-14-16-11(3)5-12(4)17-14;1-8(2)18-11(6-15-12(18)14)7-19-13-16-9(3)5-10(4)17-13;1-7-3-8(2)17-12(16-7)18-6-9-10(13)4-15-5-11(9)14;1-4-17-10(6-14-11(17)13)7-18-12-15-8(2)5-9(3)16-12;1-4-10-9(8(3)17-15-10)6-18-12-13-7(2)5-11(16)14-12;1-7-4-8(2)15-11(14-7)17-5-9-10(12)13-6-16(9)3/h3-7H,8H2,1-2H3;5-6,9-10H,7-8H2,1-4H3;5-6,8H,7H2,1-4H3;3-5H,6H2,1-2H3;5-6H,4,7H2,1-3H3;5H,4,6H2,1-3H3,(H,13,14,16);4,6H,5H2,1-3H3
InChIKeyTUZYPPYZDUCKNV-UHFFFAOYSA-N
MW1995.17 g/mol
LogP23.09
Rot. Bonds26

About 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one

3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 160994075) has the molecular formula C88H104Cl6N26O2S7 and a molecular weight of 1995.17 g/mol. Its IUPAC name is 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID160994075
Molecular FormulaC88H104Cl6N26O2S7
Molecular Weight1995.17 g/mol
Exact Mass1990.50
IUPAC Name3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1noc(C)c1CSc1nc(C)cc(=O)[nH]1.CCn1c(CSc2nc(C)cc(C)n2)cnc1Cl.Cc1cc(C)nc(SCc2c(Cl)cncc2Cl)n1.Cc1cc(C)nc(SCc2c(Cl)ncn2C)n1.Cc1cc(C)nc(SCc2cnc(Cl)n2C(C)C)n1.Cc1cc(C)nc(SCc2cncn2CC(C)C)n1.Cc1cc(C)nc(SCc2nc3ccccn3c2Cl)n1
InChIInChI=1S/C14H13ClN4S.C14H20N4S.C13H17ClN4S.C12H11Cl2N3S.C12H15ClN4S.C12H15N3O2S.C11H13ClN4S/c1-9-7-10(2)17-14(16-9)20-8-11-13(15)19-6-4-3-5-12(19)18-11;1-10(2)7-18-9-15-6-13(18)8-19-14-16-11(3)5-12(4)17-14;1-8(2)18-11(6-15-12(18)14)7-19-13-16-9(3)5-10(4)17-13;1-7-3-8(2)17-12(16-7)18-6-9-10(13)4-15-5-11(9)14;1-4-17-10(6-14-11(17)13)7-18-12-15-8(2)5-9(3)16-12;1-4-10-9(8(3)17-15-10)6-18-12-13-7(2)5-11(16)14-12;1-7-4-8(2)15-11(14-7)17-5-9-10(12)13-6-16(9)3/h3-7H,8H2,1-2H3;5-6,9-10H,7-8H2,1-4H3;5-6,8H,7H2,1-4H3;3-5H,6H2,1-2H3;5-6H,4,7H2,1-3H3;5H,4,6H2,1-3H3,(H,13,14,16);4,6H,5H2,1-3H3
InChIKeyTUZYPPYZDUCKNV-UHFFFAOYSA-N
XLogP23.09
TPSA327.93 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001995.17
LogP ≤ 523.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-8-[8-(2-amino-5-chloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-N-methyl-8-[7-methyl-8-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 159582524
N-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;(2S)-N-[2-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[2-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;(2S)-N-[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]-N-[6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]acetamide
CID 159715304
2-butan-2-yl-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;N-butyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-cyclopropylimidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine
CID 157891338
4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone
CID 158270381
3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclopentylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[(1-methylimidazol-4-yl)methylsulfanyl]pyrimidine;4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 158395340
2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 158948185
2-[[2-chloro-6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4,6-dimethyl-2-(pyrimidin-5-ylmethylsulfanyl)pyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 160022014
2-[[2-chloro-6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4,6-dimethyl-2-(pyrimidin-5-ylmethylsulfanyl)pyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;methane;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride
CID 160606743
5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 163424553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 160994075) is 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is CCc1noc(C)c1CSc1nc(C)cc(=O)[nH]1.CCn1c(CSc2nc(C)cc(C)n2)cnc1Cl.Cc1cc(C)nc(SCc2c(Cl)cncc2Cl)n1.Cc1cc(C)nc(SCc2c(Cl)ncn2C)n1.Cc1cc(C)nc(SCc2cnc(Cl)n2C(C)C)n1.Cc1cc(C)nc(SCc2cncn2CC(C)C)n1.Cc1cc(C)nc(SCc2nc3ccccn3c2Cl)n1.
What is the InChIKey of 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is TUZYPPYZDUCKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S.C14H20N4S.C13H17ClN4S.C12H11Cl2N3S.C12H15ClN4S.C12H15N3O2S.C11H13ClN4S/c1-9-7-10(2)17-14(16-9)20-8-11-13(15)19-6-4-3-5-12(19)18-11;1-10(2)7-18-9-15-6-13(18)8-19-14-16-11(3)5-12(4)17-14;1-8(2)18-11(6-15-12(18)14)7-19-13-16-9(3)5-10(4)17-13;1-7-3-8(2)17-12(16-7)18-6-9-10(13)4-15-5-11(9)14;1-4-17-10(6-14-11(17)13)7-18-12-15-8(2)5-9(3)16-12;1-4-10-9(8(3)17-15-10)6-18-12-13-7(2)5-11(16)14-12;1-7-4-8(2)15-11(14-7)17-5-9-10(12)13-6-16(9)3/h3-7H,8H2,1-2H3;5-6,9-10H,7-8H2,1-4H3;5-6,8H,7H2,1-4H3;3-5H,6H2,1-2H3;5-6H,4,7H2,1-3H3;5H,4,6H2,1-3H3,(H,13,14,16);4,6H,5H2,1-3H3.
What are the key properties of 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 1995.17 g/mol, XLogP of 23.09, 26 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine;2-[(2-chloro-3-ethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloro-3-methylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-chloro-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 160994075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).