N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol

C99H95N25O5S — CID 160511389

About N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol

N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol (PubChem CID 160511389) has the molecular formula C99H95N25O5S and a molecular weight of 1747.09 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
• PubChem CID: 160511389
• Molecular Formula: C99H95N25O5S
• Molecular Weight: 1747.09 g/mol
• Exact Mass: 1745.77
• IUPAC Name: N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
• SMILES: COc1ccc(N(C)c2nc(C)nc3[nH]ccc23)nc1.COc1cccc2c(Nc3nc(C)nc4[nH]ccc34)cccc12.COc1cccc2cc(N(C)c3nc(C)nc4[nH]ccc34)ccc12.CSc1ccc(N(C)c2nc(C)nc3[nH]ccc23)cc1.Cc1nc(N(C)c2ccc3c(c2)CCO3)c2cc[nH]c2n1.Cc1nc(Nc2cccc3c(O)cccc23)c2cc[nH]c2n1
• InChI: InChI=1S/C19H18N4O.C18H16N4O.C17H14N4O.C16H16N4O.C15H16N4S.C14H15N5O/c1-12-21-18-16(9-10-20-18)19(22-12)23(2)14-7-8-15-13(11-14)5-4-6-17(15)24-3;1-11-20-17-14(9-10-19-17)18(21-11)22-15-7-3-6-13-12(15)5-4-8-16(13)23-2;1-10-19-16-13(8-9-18-16)17(20-10)21-14-6-2-5-12-11(14)4-3-7-15(12)22;1-10-18-15-13(5-7-17-15)16(19-10)20(2)12-3-4-14-11(9-12)6-8-21-14;1-10-17-14-13(8-9-16-14)15(18-10)19(2)11-4-6-12(20-3)7-5-11;1-9-17-13-11(6-7-15-13)14(18-9)19(2)12-5-4-10(20-3)8-16-12/h4-11H,1-3H3,(H,20,21,22);3-10H,1-2H3,(H2,19,20,21,22);2-9,22H,1H3,(H2,18,19,20,21);3-5,7,9H,6,8H2,1-2H3,(H,17,18,19);4-9H,1-3H3,(H,16,17,18);4-8H,1-3H3,(H,15,17,18)
• InChIKey: QTBYEIHGFBNVFR-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 356.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1747.09
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol?

The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol (CID 160511389) is N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol.

What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol?

The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol is COc1ccc(N(C)c2nc(C)nc3[nH]ccc23)nc1.COc1cccc2c(Nc3nc(C)nc4[nH]ccc34)cccc12.COc1cccc2cc(N(C)c3nc(C)nc4[nH]ccc34)ccc12.CSc1ccc(N(C)c2nc(C)nc3[nH]ccc23)cc1.Cc1nc(N(C)c2ccc3c(c2)CCO3)c2cc[nH]c2n1.Cc1nc(Nc2cccc3c(O)cccc23)c2cc[nH]c2n1.

What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol?

The InChIKey is QTBYEIHGFBNVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.C18H16N4O.C17H14N4O.C16H16N4O.C15H16N4S.C14H15N5O/c1-12-21-18-16(9-10-20-18)19(22-12)23(2)14-7-8-15-13(11-14)5-4-6-17(15)24-3;1-11-20-17-14(9-10-19-17)18(21-11)22-15-7-3-6-13-12(15)5-4-8-16(13)23-2;1-10-19-16-13(8-9-18-16)17(20-10)21-14-6-2-5-12-11(14)4-3-7-15(12)22;1-10-18-15-13(5-7-17-15)16(19-10)20(2)12-3-4-14-11(9-12)6-8-21-14;1-10-17-14-13(8-9-16-14)15(18-10)19(2)11-4-6-12(20-3)7-5-11;1-9-17-13-11(6-7-15-13)14(18-9)19(2)12-5-4-10(20-3)8-16-12/h4-11H,1-3H3,(H,20,21,22);3-10H,1-2H3,(H2,19,20,21,22);2-9,22H,1H3,(H2,18,19,20,21);3-5,7,9H,6,8H2,1-2H3,(H,17,18,19);4-9H,1-3H3,(H,16,17,18);4-8H,1-3H3,(H,15,17,18).

What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol?

N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol has a molecular weight of 1747.09 g/mol, XLogP of 21.40, 16 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-2-yl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxynaphthalen-1-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol is sourced from PubChem (CID 160511389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).