N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine

C126H196N12O5S7 — CID 165090208

IUPACN,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine
SMILESC.CC(C)c1cccc(C(=O)N(C)C)c1C(C)C.CC(C)c1ncnc(C(C)C)c1C(C)C.CCc1ccnc(SC)c1C(C)C.CSCc1ccnc(C)c1C(C)C.CSCc1nccc(C)c1C(C)C.CSc1ccnc(C)c1C(C)C.CSc1nccc(C)c1C(C)C.Cc1cc(C(=O)N(C)C)cc(C)c1C(C)C.Cc1ccnc(C)c1C(C)C.Cc1nccc(S(C)(=O)=O)c1C(C)C.Cc1nccc(S(C)=O)c1C(C)C
InChIInChI=1S/C15H23NO.C14H21NO.C13H22N2.3C11H17NS.C10H15NO2S.C10H15NOS.2C10H15NS.C10H15N.CH4/c1-10(2)12-8-7-9-13(14(12)11(3)4)15(17)16(5)6;1-9(2)13-10(3)7-12(8-11(13)4)14(16)15(5)6;1-8(2)11-12(9(3)4)14-7-15-13(11)10(5)6;1-8(2)11-9(3)12-6-5-10(11)7-13-4;1-8(2)11-9(3)5-6-12-10(11)7-13-4;1-5-9-6-7-12-11(13-4)10(9)8(2)3;1-7(2)10-8(3)11-6-5-9(10)14(4,12)13;1-7(2)10-8(3)11-6-5-9(10)13(4)12;1-7(2)10-8(3)11-6-5-9(10)12-4;1-7(2)9-8(3)5-6-11-10(9)12-4;1-7(2)10-8(3)5-6-11-9(10)4;/h7-11H,1-6H3;7-9H,1-6H3;7-10H,1-6H3;2*5-6,8H,7H2,1-4H3;6-8H,5H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;5-7H,1-4H3;1H4
InChIKeyWOKREIWHOCEKOS-UHFFFAOYSA-N
MW2183.50 g/mol
LogP34.95
Rot. Bonds26

About N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine

N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine (PubChem CID 165090208) has the molecular formula C126H196N12O5S7 and a molecular weight of 2183.50 g/mol. Its IUPAC name is N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine.

Molecular Properties

Compound NameN,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine
PubChem CID165090208
Molecular FormulaC126H196N12O5S7
Molecular Weight2183.50 g/mol
Exact Mass2181.35
IUPAC NameN,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine
SMILESC.CC(C)c1cccc(C(=O)N(C)C)c1C(C)C.CC(C)c1ncnc(C(C)C)c1C(C)C.CCc1ccnc(SC)c1C(C)C.CSCc1ccnc(C)c1C(C)C.CSCc1nccc(C)c1C(C)C.CSc1ccnc(C)c1C(C)C.CSc1nccc(C)c1C(C)C.Cc1cc(C(=O)N(C)C)cc(C)c1C(C)C.Cc1ccnc(C)c1C(C)C.Cc1nccc(S(C)(=O)=O)c1C(C)C.Cc1nccc(S(C)=O)c1C(C)C
InChIInChI=1S/C15H23NO.C14H21NO.C13H22N2.3C11H17NS.C10H15NO2S.C10H15NOS.2C10H15NS.C10H15N.CH4/c1-10(2)12-8-7-9-13(14(12)11(3)4)15(17)16(5)6;1-9(2)13-10(3)7-12(8-11(13)4)14(16)15(5)6;1-8(2)11-12(9(3)4)14-7-15-13(11)10(5)6;1-8(2)11-9(3)12-6-5-10(11)7-13-4;1-8(2)11-9(3)5-6-12-10(11)7-13-4;1-5-9-6-7-12-11(13-4)10(9)8(2)3;1-7(2)10-8(3)11-6-5-9(10)14(4,12)13;1-7(2)10-8(3)11-6-5-9(10)13(4)12;1-7(2)10-8(3)11-6-5-9(10)12-4;1-7(2)9-8(3)5-6-11-10(9)12-4;1-7(2)10-8(3)5-6-11-9(10)4;/h7-11H,1-6H3;7-9H,1-6H3;7-10H,1-6H3;2*5-6,8H,7H2,1-4H3;6-8H,5H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;5-7H,1-4H3;1H4
InChIKeyWOKREIWHOCEKOS-UHFFFAOYSA-N
XLogP34.95
TPSA220.73 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002183.50
LogP ≤ 534.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine?
The IUPAC name of N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine (CID 165090208) is N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine.
What is the SMILES notation for N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine?
The canonical SMILES for N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine is C.CC(C)c1cccc(C(=O)N(C)C)c1C(C)C.CC(C)c1ncnc(C(C)C)c1C(C)C.CCc1ccnc(SC)c1C(C)C.CSCc1ccnc(C)c1C(C)C.CSCc1nccc(C)c1C(C)C.CSc1ccnc(C)c1C(C)C.CSc1nccc(C)c1C(C)C.Cc1cc(C(=O)N(C)C)cc(C)c1C(C)C.Cc1ccnc(C)c1C(C)C.Cc1nccc(S(C)(=O)=O)c1C(C)C.Cc1nccc(S(C)=O)c1C(C)C.
What is the InChIKey of N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine?
The InChIKey is WOKREIWHOCEKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C14H21NO.C13H22N2.3C11H17NS.C10H15NO2S.C10H15NOS.2C10H15NS.C10H15N.CH4/c1-10(2)12-8-7-9-13(14(12)11(3)4)15(17)16(5)6;1-9(2)13-10(3)7-12(8-11(13)4)14(16)15(5)6;1-8(2)11-12(9(3)4)14-7-15-13(11)10(5)6;1-8(2)11-9(3)12-6-5-10(11)7-13-4;1-8(2)11-9(3)5-6-12-10(11)7-13-4;1-5-9-6-7-12-11(13-4)10(9)8(2)3;1-7(2)10-8(3)11-6-5-9(10)14(4,12)13;1-7(2)10-8(3)11-6-5-9(10)13(4)12;1-7(2)10-8(3)11-6-5-9(10)12-4;1-7(2)9-8(3)5-6-11-10(9)12-4;1-7(2)10-8(3)5-6-11-9(10)4;/h7-11H,1-6H3;7-9H,1-6H3;7-10H,1-6H3;2*5-6,8H,7H2,1-4H3;6-8H,5H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;5-7H,1-4H3;1H4.
What are the key properties of N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine?
N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine has a molecular weight of 2183.50 g/mol, XLogP of 34.95, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-di(propan-2-yl)benzamide;2,4-dimethyl-3-propan-2-ylpyridine;4-ethyl-2-methylsulfanyl-3-propan-2-ylpyridine;methane;2-methyl-4-(methylsulfanylmethyl)-3-propan-2-ylpyridine;4-methyl-2-(methylsulfanylmethyl)-3-propan-2-ylpyridine;2-methyl-4-methylsulfanyl-3-propan-2-ylpyridine;4-methyl-2-methylsulfanyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfinyl-3-propan-2-ylpyridine;2-methyl-4-methylsulfonyl-3-propan-2-ylpyridine;N,N,3,5-tetramethyl-4-propan-2-ylbenzamide;4,5,6-tri(propan-2-yl)pyrimidine is sourced from PubChem (CID 165090208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).