N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine

C86H105FN18O6S — CID 159253052

About N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine

N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine (PubChem CID 159253052) has the molecular formula C86H105FN18O6S and a molecular weight of 1537.97 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine
• PubChem CID: 159253052
• Molecular Formula: C86H105FN18O6S
• Molecular Weight: 1537.97 g/mol
• Exact Mass: 1536.82
• IUPAC Name: N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine
• SMILES: COc1cc(Nc2nc(C)ncc2C)cc(OC)c1.COc1cc(Nc2nc(C)ncc2C)ccc1F.COc1cccc(Nc2ccnc(C)n2)c1C.Cc1cc(C)cc(Nc2nc(C)ncc2C)c1.Cc1ncc(C)c(Nc2ccc(C)c(S(=O)(=O)CC(C)(C)C)c2)n1.Cc1ncc(C)c(Nc2cccc(C)c2C)n1
• InChI: InChI=1S/C18H25N3O2S.C14H17N3O2.2C14H17N3.C13H14FN3O.C13H15N3O/c1-12-7-8-15(21-17-13(2)10-19-14(3)20-17)9-16(12)24(22,23)11-18(4,5)6;1-9-8-15-10(2)16-14(9)17-11-5-12(18-3)7-13(6-11)19-4;1-9-5-10(2)7-13(6-9)17-14-11(3)8-15-12(4)16-14;1-9-6-5-7-13(11(9)3)17-14-10(2)8-15-12(4)16-14;1-8-7-15-9(2)16-13(8)17-10-4-5-11(14)12(6-10)18-3;1-9-11(5-4-6-12(9)17-3)16-13-7-8-14-10(2)15-13/h7-10H,11H2,1-6H3,(H,19,20,21);5-8H,1-4H3,(H,15,16,17);2*5-8H,1-4H3,(H,15,16,17);4-7H,1-3H3,(H,15,16,17);4-8H,1-3H3,(H,14,15,16)
• InChIKey: KVNVNIORPVEDBZ-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 297.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1537.97
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine?

The IUPAC name of N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine (CID 159253052) is N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine is COc1cc(Nc2nc(C)ncc2C)cc(OC)c1.COc1cc(Nc2nc(C)ncc2C)ccc1F.COc1cccc(Nc2ccnc(C)n2)c1C.Cc1cc(C)cc(Nc2nc(C)ncc2C)c1.Cc1ncc(C)c(Nc2ccc(C)c(S(=O)(=O)CC(C)(C)C)c2)n1.Cc1ncc(C)c(Nc2cccc(C)c2C)n1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine?

The InChIKey is KVNVNIORPVEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.C14H17N3O2.2C14H17N3.C13H14FN3O.C13H15N3O/c1-12-7-8-15(21-17-13(2)10-19-14(3)20-17)9-16(12)24(22,23)11-18(4,5)6;1-9-8-15-10(2)16-14(9)17-11-5-12(18-3)7-13(6-11)19-4;1-9-5-10(2)7-13(6-9)17-14-11(3)8-15-12(4)16-14;1-9-6-5-7-13(11(9)3)17-14-10(2)8-15-12(4)16-14;1-8-7-15-9(2)16-13(8)17-10-4-5-11(14)12(6-10)18-3;1-9-11(5-4-6-12(9)17-3)16-13-7-8-14-10(2)15-13/h7-10H,11H2,1-6H3,(H,19,20,21);5-8H,1-4H3,(H,15,16,17);2*5-8H,1-4H3,(H,15,16,17);4-7H,1-3H3,(H,15,16,17);4-8H,1-3H3,(H,14,15,16).

What are the key properties of N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine?

N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 1537.97 g/mol, XLogP of 19.56, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)-4-methylphenyl]-2,5-dimethylpyrimidin-4-amine;N-(4-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine;N-(3-methoxy-2-methylphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 159253052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).