2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane

C122H195N19O2S — CID 158129573

IUPAC2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NC(c2ccccc2)=NC1.CC1=NCN=C1c1ccccc1.CCC.CCC.CCC.CCC.CCCCc1nccc(C2=NCC(C)=N2)n1.CCCCc1nccc(N2CCCCC2)n1.CCCCc1nccc(N2CCS(=O)(=O)CC2)n1.Cc1ccc(-c2ccccc2)cn1.Cc1ccnc(Cc2ccccc2)n1.Cc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C13H21N3.C12H16N4.C12H19N3O2S.C12H12N2.C12H11N.C11H10N2.2C10H10N2.4C3H8.9C2H6/c1-2-3-7-12-14-9-8-13(15-12)16-10-5-4-6-11-16;1-3-4-5-11-13-7-6-10(16-11)12-14-8-9(2)15-12;1-2-3-4-11-13-6-5-12(14-11)15-7-9-18(16,17)10-8-15;1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-9-12-7-11(8-13-9)10-5-3-2-4-6-10;1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;4*1-3-2;9*1-2/h8-9H,2-7,10-11H2,1H3;6-7H,3-5,8H2,1-2H3;5-6H,2-4,7-10H2,1H3;2-8H,9H2,1H3;2-9H,1H3;2-8H,1H3;2*2-6H,7H2,1H3;4*3H2,1-2H3;9*1-2H3
InChIKeyFSPJFLKNIRMGKG-UHFFFAOYSA-N
MW1992.10 g/mol
LogP32.51
Rot. Bonds18

About 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane

2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane (PubChem CID 158129573) has the molecular formula C122H195N19O2S and a molecular weight of 1992.10 g/mol. Its IUPAC name is 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane.

Molecular Properties

Compound Name2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane
PubChem CID158129573
Molecular FormulaC122H195N19O2S
Molecular Weight1992.10 g/mol
Exact Mass1990.55
IUPAC Name2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NC(c2ccccc2)=NC1.CC1=NCN=C1c1ccccc1.CCC.CCC.CCC.CCC.CCCCc1nccc(C2=NCC(C)=N2)n1.CCCCc1nccc(N2CCCCC2)n1.CCCCc1nccc(N2CCS(=O)(=O)CC2)n1.Cc1ccc(-c2ccccc2)cn1.Cc1ccnc(Cc2ccccc2)n1.Cc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C13H21N3.C12H16N4.C12H19N3O2S.C12H12N2.C12H11N.C11H10N2.2C10H10N2.4C3H8.9C2H6/c1-2-3-7-12-14-9-8-13(15-12)16-10-5-4-6-11-16;1-3-4-5-11-13-7-6-10(16-11)12-14-8-9(2)15-12;1-2-3-4-11-13-6-5-12(14-11)15-7-9-18(16,17)10-8-15;1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-9-12-7-11(8-13-9)10-5-3-2-4-6-10;1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;4*1-3-2;9*1-2/h8-9H,2-7,10-11H2,1H3;6-7H,3-5,8H2,1-2H3;5-6H,2-4,7-10H2,1H3;2-8H,9H2,1H3;2-9H,1H3;2-8H,1H3;2*2-6H,7H2,1H3;4*3H2,1-2H3;9*1-2H3
InChIKeyFSPJFLKNIRMGKG-UHFFFAOYSA-N
XLogP32.51
TPSA256.57 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001992.10
LogP ≤ 532.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane with MolForge

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Related Compounds

4-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
CID 11549537
N-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-1-phenylmethanesulfonamide
CID 40776999
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 71618651
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
CID 71618716
N-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]propane-1-sulfonamide
CID 40776997
N-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]methanesulfonamide
CID 40777005
4-(4-Methylsulfonylphenyl)-5-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 24959024
4-(4-Methylsulfonylphenyl)-5-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 24959027
7-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]-N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 57820162
4-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 58521629
4-[3-[5-Cyclopropyl-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-4-fluorocyclohexa-1,5-dien-1-amine
CID 90100219
6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 129033408

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane?
The IUPAC name of 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane (CID 158129573) is 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane.
What is the SMILES notation for 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane?
The canonical SMILES for 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NC(c2ccccc2)=NC1.CC1=NCN=C1c1ccccc1.CCC.CCC.CCC.CCC.CCCCc1nccc(C2=NCC(C)=N2)n1.CCCCc1nccc(N2CCCCC2)n1.CCCCc1nccc(N2CCS(=O)(=O)CC2)n1.Cc1ccc(-c2ccccc2)cn1.Cc1ccnc(Cc2ccccc2)n1.Cc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane?
The InChIKey is FSPJFLKNIRMGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C12H16N4.C12H19N3O2S.C12H12N2.C12H11N.C11H10N2.2C10H10N2.4C3H8.9C2H6/c1-2-3-7-12-14-9-8-13(15-12)16-10-5-4-6-11-16;1-3-4-5-11-13-7-6-10(16-11)12-14-8-9(2)15-12;1-2-3-4-11-13-6-5-12(14-11)15-7-9-18(16,17)10-8-15;1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-9-12-7-11(8-13-9)10-5-3-2-4-6-10;1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;4*1-3-2;9*1-2/h8-9H,2-7,10-11H2,1H3;6-7H,3-5,8H2,1-2H3;5-6H,2-4,7-10H2,1H3;2-8H,9H2,1H3;2-9H,1H3;2-8H,1H3;2*2-6H,7H2,1H3;4*3H2,1-2H3;9*1-2H3.
What are the key properties of 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane?
2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane has a molecular weight of 1992.10 g/mol, XLogP of 32.51, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methylpyrimidine;2-butyl-4-(5-methyl-4H-imidazol-2-yl)pyrimidine;2-butyl-4-piperidin-1-ylpyrimidine;4-(2-butylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;ethane;4-methyl-5-phenyl-2H-imidazole;5-methyl-2-phenyl-4H-imidazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylpyrimidine;propane is sourced from PubChem (CID 158129573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).