About 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 157360009) has the molecular formula C160H190N36O12S
and a molecular weight of 2841.59 g/mol. Its IUPAC name is 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
Frequently Asked Questions
What is the IUPAC name of 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 157360009) is 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)cn1)C(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)nc1)C(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3cccc(CN4CCCC4)c3)cn1)C(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3cccc(CN4CCCC4)c3)nc1)C(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccnc(-c3ccc(CN4CCCC4)cc3)c1)C(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cnc(-c3cccc(CN4CCCC4)c3)s1)C(=O)C2.
What is the InChIKey of 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is BINJASHBRRBLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/5C27H32N6O2.C25H30N6O2S/c1-2-3-14-35-27-30-25(28)22-15-24(34)33(26(22)31-27)18-20-8-11-23(29-16-20)21-9-6-19(7-10-21)17-32-12-4-5-13-32;1-2-3-14-35-27-30-25(28)22-16-24(34)33(26(22)31-27)18-20-10-11-29-23(15-20)21-8-6-19(7-9-21)17-32-12-4-5-13-32;1-2-3-14-35-27-30-25(28)23-15-24(34)33(26(23)31-27)18-22-11-10-21(16-29-22)20-8-6-19(7-9-20)17-32-12-4-5-13-32;1-2-3-13-35-27-30-25(28)22-15-24(34)33(26(22)31-27)18-20-9-10-23(29-16-20)21-8-6-7-19(14-21)17-32-11-4-5-12-32;1-2-3-13-35-27-30-25(28)23-15-24(34)33(26(23)31-27)18-22-10-9-21(16-29-22)20-8-6-7-19(14-20)17-32-11-4-5-12-32;1-2-3-11-33-25-28-22(26)20-13-21(32)31(23(20)29-25)16-19-14-27-24(34-19)18-8-6-7-17(12-18)15-30-9-4-5-10-30/h6-11,16H,2-5,12-15,17-18H2,1H3,(H2,28,30,31);6-11,15H,2-5,12-14,16-18H2,1H3,(H2,28,30,31);6-11,16H,2-5,12-15,17-18H2,1H3,(H2,28,30,31);2*6-10,14,16H,2-5,11-13,15,17-18H2,1H3,(H2,28,30,31);6-8,12,14H,2-5,9-11,13,15-16H2,1H3,(H2,26,28,29).
What are the key properties of 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2841.59 g/mol, XLogP of 23.97, 54 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butoxy-7-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-[[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-5-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 157360009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).