2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

C71H54F7N13O10 — CID 159586866

About 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (PubChem CID 159586866) has the molecular formula C71H54F7N13O10 and a molecular weight of 1382.28 g/mol. Its IUPAC name is 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
• PubChem CID: 159586866
• Molecular Formula: C71H54F7N13O10
• Molecular Weight: 1382.28 g/mol
• Exact Mass: 1381.40
• IUPAC Name: 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
• SMILES: CN1C(=O)C(Cc2ccc(F)cc2F)c2nc(N)nc(-c3ccco3)c21.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccc(F)cc1F)C(=O)C2.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1OC(F)(F)F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)[C@H](Cc1ccccc1)OC2
• InChI: InChI=1S/C18H12F3N3O4.C18H14F2N4O2.C18H13F2N3O2.C17H15N3O2/c19-18(20,21)28-10-5-2-1-4-9(10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-6-3-7-26-11;1-24-16-14(22-18(21)23-15(16)13-3-2-6-26-13)11(17(24)25)7-9-4-5-10(19)8-12(9)20;19-10-4-3-9(13(20)7-10)6-11-14(24)8-12-16(11)22-18(21)23-17(12)15-2-1-5-25-15;18-17-19-15(13-7-4-8-21-13)12-10-22-14(16(12)20-17)9-11-5-2-1-3-6-11/h1-7,12H,8H2,(H2,22,23,24);2-6,8,11H,7H2,1H3,(H2,21,22,23);1-5,7,11H,6,8H2,(H2,21,22,23);1-8,14H,9-10H2,(H2,18,19,20)/t;;;14-/m...0/s1
• InChIKey: MJSNGLFTOQJVEZ-UFVCJTMNSA-N
• XLogP: 12.75
• TPSA: 341.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1382.28
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?

The IUPAC name of 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (CID 159586866) is 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.

What is the SMILES notation for 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?

The canonical SMILES for 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is CN1C(=O)C(Cc2ccc(F)cc2F)c2nc(N)nc(-c3ccco3)c21.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccc(F)cc1F)C(=O)C2.Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1OC(F)(F)F)OC2=O.Nc1nc(-c2ccco2)c2c(n1)[C@H](Cc1ccccc1)OC2.

What is the InChIKey of 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?

The InChIKey is MJSNGLFTOQJVEZ-UFVCJTMNSA-N. The full InChI is InChI=1S/C18H12F3N3O4.C18H14F2N4O2.C18H13F2N3O2.C17H15N3O2/c19-18(20,21)28-10-5-2-1-4-9(10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-6-3-7-26-11;1-24-16-14(22-18(21)23-15(16)13-3-2-6-26-13)11(17(24)25)7-9-4-5-10(19)8-12(9)20;19-10-4-3-9(13(20)7-10)6-11-14(24)8-12-16(11)22-18(21)23-17(12)15-2-1-5-25-15;18-17-19-15(13-7-4-8-21-13)12-10-22-14(16(12)20-17)9-11-5-2-1-3-6-11/h1-7,12H,8H2,(H2,22,23,24);2-6,8,11H,7H2,1H3,(H2,21,22,23);1-5,7,11H,6,8H2,(H2,21,22,23);1-8,14H,9-10H2,(H2,18,19,20)/t;;;14-/m...0/s1.

What are the key properties of 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?

2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine has a molecular weight of 1382.28 g/mol, XLogP of 12.75, 13 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5,7-dihydrocyclopenta[d]pyrimidin-6-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;(7S)-7-benzyl-4-(furan-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 159586866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).