4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine

C122H138N24O6S3 — CID 158310344

About 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine

4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 158310344) has the molecular formula C122H138N24O6S3 and a molecular weight of 2132.81 g/mol. Its IUPAC name is 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
• PubChem CID: 158310344
• Molecular Formula: C122H138N24O6S3
• Molecular Weight: 2132.81 g/mol
• Exact Mass: 2131.04
• IUPAC Name: 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
• SMILES: Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC(C)C)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCC4CC4)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(N[C@@H](C)C4CC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CCC3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(C[C@H](C)C3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(C[C@H](C)C3CC3)nc(N)n2)c1C
• InChI: InChI=1S/C24H25N5O2S.C23H23N5O2S.C22H23N5O2S.2C18H23N3.C17H21N3/c1-15-7-11-18(12-8-15)32(30,31)29-14-20(19-5-3-4-6-22(19)29)21-13-23(28-24(25)27-21)26-16(2)17-9-10-17;1-15-6-10-17(11-7-15)31(29,30)28-14-19(18-4-2-3-5-21(18)28)20-12-22(27-23(24)26-20)25-13-16-8-9-16;1-14(2)24-21-12-19(25-22(23)26-21)18-13-27(20-7-5-4-6-17(18)20)30(28,29)16-10-8-15(3)9-11-16;2*1-11-5-4-6-16(13(11)3)17-10-15(20-18(19)21-17)9-12(2)14-7-8-14;1-11-4-3-5-15(12(11)2)16-10-14(19-17(18)20-16)9-8-13-6-7-13/h3-8,11-14,16-17H,9-10H2,1-2H3,(H3,25,26,27,28);2-7,10-12,14,16H,8-9,13H2,1H3,(H3,24,25,26,27);4-14H,1-3H3,(H3,23,24,25,26);2*4-6,10,12,14H,7-9H2,1-3H3,(H2,19,20,21);3-5,10,13H,6-9H2,1-2H3,(H2,18,19,20)/t16-;;;2*12-;/m0..00./s1
• InChIKey: GNPKYMBWIDUMPH-HTAQDOSISA-N
• XLogP: 24.08
• TPSA: 464.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2132.81
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?

The IUPAC name of 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 158310344) is 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine.

What is the SMILES notation for 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?

The canonical SMILES for 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC(C)C)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCC4CC4)nc(N)n3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(N[C@@H](C)C4CC4)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(CCC3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(C[C@H](C)C3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(C[C@H](C)C3CC3)nc(N)n2)c1C.

What is the InChIKey of 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?

The InChIKey is GNPKYMBWIDUMPH-HTAQDOSISA-N. The full InChI is InChI=1S/C24H25N5O2S.C23H23N5O2S.C22H23N5O2S.2C18H23N3.C17H21N3/c1-15-7-11-18(12-8-15)32(30,31)29-14-20(19-5-3-4-6-22(19)29)21-13-23(28-24(25)27-21)26-16(2)17-9-10-17;1-15-6-10-17(11-7-15)31(29,30)28-14-19(18-4-2-3-5-21(18)28)20-12-22(27-23(24)26-20)25-13-16-8-9-16;1-14(2)24-21-12-19(25-22(23)26-21)18-13-27(20-7-5-4-6-17(18)20)30(28,29)16-10-8-15(3)9-11-16;2*1-11-5-4-6-16(13(11)3)17-10-15(20-18(19)21-17)9-12(2)14-7-8-14;1-11-4-3-5-15(12(11)2)16-10-14(19-17(18)20-16)9-8-13-6-7-13/h3-8,11-14,16-17H,9-10H2,1-2H3,(H3,25,26,27,28);2-7,10-12,14,16H,8-9,13H2,1H3,(H3,24,25,26,27);4-14H,1-3H3,(H3,23,24,25,26);2*4-6,10,12,14H,7-9H2,1-3H3,(H2,19,20,21);3-5,10,13H,6-9H2,1-2H3,(H2,18,19,20)/t16-;;;2*12-;/m0..00./s1.

What are the key properties of 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?

4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 2132.81 g/mol, XLogP of 24.08, 29 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyclopropylethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[(1S)-1-cyclopropylethyl]-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-(cyclopropylmethyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine);6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 158310344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).