4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane

C189H257Cl3N22O2S — CID 158505902

IUPAC4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane
SMILESCC.CC.CC.CC(C)(C)S(=O)(=O)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1cc(Cl)nc(N2CCCCC2)n1.CC(C)(C)c1ccc(-c2ccc(C#N)cc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2cnc(N)nc2)cc1.Cc1cc(C(C)(C)C)nc(Cl)n1.Cc1cc(C(C)(C)C)nc(N2CCCCC2)n1.Cc1nc(-c2ccccc2)cc(C(C)(C)C)n1.Cc1nc(-c2ccccc2)cc(C(C)(C)C)n1.Cc1nc(Cl)cc(C(C)(C)C)n1.Cc1nc(N2CCCCC2)cc(C(C)(C)C)n1
InChIInChI=1S/C17H17N.3C16H18.2C15H18N2.C15H23NO2S.2C14H23N3.C14H17N3.C13H20ClN3.2C9H13ClN2.3C2H6/c1-17(2,3)16-10-8-15(9-11-16)14-6-4-13(12-18)5-7-14;3*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;2*1-11-16-13(12-8-6-5-7-9-12)10-14(17-11)15(2,3)4;1-15(2,3)19(17,18)14-9-7-13(8-10-14)16-11-5-4-6-12-16;1-11-15-12(14(2,3)4)10-13(16-11)17-8-6-5-7-9-17;1-11-10-12(14(2,3)4)16-13(15-11)17-8-6-5-7-9-17;1-14(2,3)12-6-4-10(5-7-12)11-8-16-13(15)17-9-11;1-13(2,3)10-9-11(14)16-12(15-10)17-7-5-4-6-8-17;1-6-11-7(9(2,3)4)5-8(10)12-6;1-6-5-7(9(2,3)4)12-8(10)11-6;3*1-2/h4-11H,1-3H3;3*4-12H,1-3H3;2*5-10H,1-4H3;7-10H,4-6,11-12H2,1-3H3;2*10H,5-9H2,1-4H3;4-9H,1-3H3,(H2,15,16,17);9H,4-8H2,1-3H3;2*5H,1-4H3;3*1-2H3
InChIKeyHKLQKTWBOKXMRT-UHFFFAOYSA-N
MW3007.71 g/mol
LogP50.36
Rot. Bonds12

About 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane

4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane (PubChem CID 158505902) has the molecular formula C189H257Cl3N22O2S and a molecular weight of 3007.71 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane
PubChem CID158505902
Molecular FormulaC189H257Cl3N22O2S
Molecular Weight3007.71 g/mol
Exact Mass3003.95
IUPAC Name4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane
SMILESCC.CC.CC.CC(C)(C)S(=O)(=O)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1cc(Cl)nc(N2CCCCC2)n1.CC(C)(C)c1ccc(-c2ccc(C#N)cc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2cnc(N)nc2)cc1.Cc1cc(C(C)(C)C)nc(Cl)n1.Cc1cc(C(C)(C)C)nc(N2CCCCC2)n1.Cc1nc(-c2ccccc2)cc(C(C)(C)C)n1.Cc1nc(-c2ccccc2)cc(C(C)(C)C)n1.Cc1nc(Cl)cc(C(C)(C)C)n1.Cc1nc(N2CCCCC2)cc(C(C)(C)C)n1
InChIInChI=1S/C17H17N.3C16H18.2C15H18N2.C15H23NO2S.2C14H23N3.C14H17N3.C13H20ClN3.2C9H13ClN2.3C2H6/c1-17(2,3)16-10-8-15(9-11-16)14-6-4-13(12-18)5-7-14;3*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;2*1-11-16-13(12-8-6-5-7-9-12)10-14(17-11)15(2,3)4;1-15(2,3)19(17,18)14-9-7-13(8-10-14)16-11-5-4-6-12-16;1-11-15-12(14(2,3)4)10-13(16-11)17-8-6-5-7-9-17;1-11-10-12(14(2,3)4)16-13(15-11)17-8-6-5-7-9-17;1-14(2,3)12-6-4-10(5-7-12)11-8-16-13(15)17-9-11;1-13(2,3)10-9-11(14)16-12(15-10)17-7-5-4-6-8-17;1-6-11-7(9(2,3)4)5-8(10)12-6;1-6-5-7(9(2,3)4)12-8(10)11-6;3*1-2/h4-11H,1-3H3;3*4-12H,1-3H3;2*5-10H,1-4H3;7-10H,4-6,11-12H2,1-3H3;2*10H,5-9H2,1-4H3;4-9H,1-3H3,(H2,15,16,17);9H,4-8H2,1-3H3;2*5H,1-4H3;3*1-2H3
InChIKeyHKLQKTWBOKXMRT-UHFFFAOYSA-N
XLogP50.36
TPSA303.15 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003007.71
LogP ≤ 550.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane?
The IUPAC name of 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane (CID 158505902) is 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane.
What is the SMILES notation for 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane?
The canonical SMILES for 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane is CC.CC.CC.CC(C)(C)S(=O)(=O)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1cc(Cl)nc(N2CCCCC2)n1.CC(C)(C)c1ccc(-c2ccc(C#N)cc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2cnc(N)nc2)cc1.Cc1cc(C(C)(C)C)nc(Cl)n1.Cc1cc(C(C)(C)C)nc(N2CCCCC2)n1.Cc1nc(-c2ccccc2)cc(C(C)(C)C)n1.Cc1nc(-c2ccccc2)cc(C(C)(C)C)n1.Cc1nc(Cl)cc(C(C)(C)C)n1.Cc1nc(N2CCCCC2)cc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane?
The InChIKey is HKLQKTWBOKXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N.3C16H18.2C15H18N2.C15H23NO2S.2C14H23N3.C14H17N3.C13H20ClN3.2C9H13ClN2.3C2H6/c1-17(2,3)16-10-8-15(9-11-16)14-6-4-13(12-18)5-7-14;3*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;2*1-11-16-13(12-8-6-5-7-9-12)10-14(17-11)15(2,3)4;1-15(2,3)19(17,18)14-9-7-13(8-10-14)16-11-5-4-6-12-16;1-11-15-12(14(2,3)4)10-13(16-11)17-8-6-5-7-9-17;1-11-10-12(14(2,3)4)16-13(15-11)17-8-6-5-7-9-17;1-14(2,3)12-6-4-10(5-7-12)11-8-16-13(15)17-9-11;1-13(2,3)10-9-11(14)16-12(15-10)17-7-5-4-6-8-17;1-6-11-7(9(2,3)4)5-8(10)12-6;1-6-5-7(9(2,3)4)12-8(10)11-6;3*1-2/h4-11H,1-3H3;3*4-12H,1-3H3;2*5-10H,1-4H3;7-10H,4-6,11-12H2,1-3H3;2*10H,5-9H2,1-4H3;4-9H,1-3H3,(H2,15,16,17);9H,4-8H2,1-3H3;2*5H,1-4H3;3*1-2H3.
What are the key properties of 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane?
4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane has a molecular weight of 3007.71 g/mol, XLogP of 50.36, 12 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-6-methylpyrimidine;4-tert-butyl-6-chloro-2-methylpyrimidine;4-tert-butyl-6-chloro-2-piperidin-1-ylpyrimidine;bis(4-tert-butyl-2-methyl-6-phenylpyrimidine);4-tert-butyl-2-methyl-6-piperidin-1-ylpyrimidine;4-tert-butyl-6-methyl-2-piperidin-1-ylpyrimidine;tris(1-tert-butyl-4-phenylbenzene);4-(4-tert-butylphenyl)benzonitrile;5-(4-tert-butylphenyl)pyrimidin-2-amine;1-(4-tert-butylsulfonylphenyl)piperidine;ethane is sourced from PubChem (CID 158505902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).