6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine

C92H88F6N24O6S2 — CID 158107403

About 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine

6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 158107403) has the molecular formula C92H88F6N24O6S2 and a molecular weight of 1804.00 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine
• PubChem CID: 158107403
• Molecular Formula: C92H88F6N24O6S2
• Molecular Weight: 1804.00 g/mol
• Exact Mass: 1802.67
• IUPAC Name: 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine
• SMILES: CCc1cc(-c2ccc(OC)cc2)nc(N)n1.CCc1cc(-c2ccccc2OC)nc(N)n1.CCc1cc(-c2cncc3ccccc23)nc(N)n1.CNc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(N)n1.CNc1cc(-c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)nc(N)n1.CNc1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccccc2)nc(N)n1
• InChI: InChI=1S/2C19H17N5O2S.C15H14N4.C13H10F6N4.2C13H15N3O/c1-21-18-12-16(22-19(20)23-18)14-8-5-9-17-15(14)10-11-24(17)27(25,26)13-6-3-2-4-7-13;1-21-18-12-16(22-19(20)23-18)13-7-8-17-14(11-13)9-10-24(17)27(25,26)15-5-3-2-4-6-15;1-2-11-7-14(19-15(16)18-11)13-9-17-8-10-5-3-4-6-12(10)13;1-21-10-5-9(22-11(20)23-10)6-2-7(12(14,15)16)4-8(3-6)13(17,18)19;1-3-10-8-12(16-13(14)15-10)9-4-6-11(17-2)7-5-9;1-3-9-8-11(16-13(14)15-9)10-6-4-5-7-12(10)17-2/h2*2-12H,1H3,(H3,20,21,22,23);3-9H,2H2,1H3,(H2,16,18,19);2-5H,1H3,(H3,20,21,22,23);2*4-8H,3H2,1-2H3,(H2,14,15,16)
• InChIKey: FPZXAHBZPQTOES-UHFFFAOYSA-N
• XLogP: 17.15
• TPSA: 456.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1804.00
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine?

The IUPAC name of 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine (CID 158107403) is 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine.

What is the SMILES notation for 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine?

The canonical SMILES for 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine is CCc1cc(-c2ccc(OC)cc2)nc(N)n1.CCc1cc(-c2ccccc2OC)nc(N)n1.CCc1cc(-c2cncc3ccccc23)nc(N)n1.CNc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(N)n1.CNc1cc(-c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)nc(N)n1.CNc1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccccc2)nc(N)n1.

What is the InChIKey of 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine?

The InChIKey is FPZXAHBZPQTOES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17N5O2S.C15H14N4.C13H10F6N4.2C13H15N3O/c1-21-18-12-16(22-19(20)23-18)14-8-5-9-17-15(14)10-11-24(17)27(25,26)13-6-3-2-4-7-13;1-21-18-12-16(22-19(20)23-18)13-7-8-17-14(11-13)9-10-24(17)27(25,26)15-5-3-2-4-6-15;1-2-11-7-14(19-15(16)18-11)13-9-17-8-10-5-3-4-6-12(10)13;1-21-10-5-9(22-11(20)23-10)6-2-7(12(14,15)16)4-8(3-6)13(17,18)19;1-3-10-8-12(16-13(14)15-10)9-4-6-11(17-2)7-5-9;1-3-9-8-11(16-13(14)15-9)10-6-4-5-7-12(10)17-2/h2*2-12H,1H3,(H3,20,21,22,23);3-9H,2H2,1H3,(H2,16,18,19);2-5H,1H3,(H3,20,21,22,23);2*4-8H,3H2,1-2H3,(H2,14,15,16).

What are the key properties of 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine?

6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 1804.00 g/mol, XLogP of 17.15, 18 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(benzenesulfonyl)indol-4-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-5-yl]-4-N-methylpyrimidine-2,4-diamine;6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine;4-ethyl-6-(2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 158107403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).