2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C61H80N20O22 — CID 160794949

About 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 160794949) has the molecular formula C61H80N20O22 and a molecular weight of 1445.43 g/mol. Its IUPAC name is 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
• PubChem CID: 160794949
• Molecular Formula: C61H80N20O22
• Molecular Weight: 1445.43 g/mol
• Exact Mass: 1444.58
• IUPAC Name: 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
• SMILES: CC1(C)OC2C=CC(NCc3c[nH]c4nc(N)[nH]c(=O)c34)C2O1.Nc1nc2[nH]cc(CNC3C=C[C@@H](O)[C@H]3O)c2c(=O)[nH]1.Nc1nc2c(c(CNC3[C@H](O)[C@H](O)[C@H]4O[C@@H]34)cn2C2OC(CO)C(O)C2O)c(=O)[nH]1.Nc1nc2c(c(CN[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4O[C@H]34)cn2C2OC(CO)C(O)C2O)c(=O)[nH]1
• InChI: InChI=1S/2C17H23N5O8.C15H19N5O3.C12H15N5O3/c2*18-17-20-14-6(15(28)21-17)4(1-19-7-9(25)10(26)13-12(7)30-13)2-22(14)16-11(27)8(24)5(3-23)29-16;1-15(2)22-9-4-3-8(11(9)23-15)17-5-7-6-18-12-10(7)13(21)20-14(16)19-12;13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h2*2,5,7-13,16,19,23-27H,1,3H2,(H3,18,20,21,28);3-4,6,8-9,11,17H,5H2,1-2H3,(H4,16,18,19,20,21);1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t5?,7?,8?,9-,10-,11?,12-,13+,16?;5?,7-,8?,9-,10-,11?,12-,13+,16?;;6?,7-,9+/m01.1/s1
• InChIKey: SCHXLHPFXDZLFX-VIFRGGCMSA-N
• XLogP: -9.28
• TPSA: 681.38 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1445.43
LogP ≤ 5	-9.28
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?

The IUPAC name of 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 160794949) is 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?

The canonical SMILES for 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CC1(C)OC2C=CC(NCc3c[nH]c4nc(N)[nH]c(=O)c34)C2O1.Nc1nc2[nH]cc(CNC3C=C[C@@H](O)[C@H]3O)c2c(=O)[nH]1.Nc1nc2c(c(CNC3[C@H](O)[C@H](O)[C@H]4O[C@@H]34)cn2C2OC(CO)C(O)C2O)c(=O)[nH]1.Nc1nc2c(c(CN[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4O[C@H]34)cn2C2OC(CO)C(O)C2O)c(=O)[nH]1.

What is the InChIKey of 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?

The InChIKey is SCHXLHPFXDZLFX-VIFRGGCMSA-N. The full InChI is InChI=1S/2C17H23N5O8.C15H19N5O3.C12H15N5O3/c2*18-17-20-14-6(15(28)21-17)4(1-19-7-9(25)10(26)13-12(7)30-13)2-22(14)16-11(27)8(24)5(3-23)29-16;1-15(2)22-9-4-3-8(11(9)23-15)17-5-7-6-18-12-10(7)13(21)20-14(16)19-12;13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h2*2,5,7-13,16,19,23-27H,1,3H2,(H3,18,20,21,28);3-4,6,8-9,11,17H,5H2,1-2H3,(H4,16,18,19,20,21);1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t5?,7?,8?,9-,10-,11?,12-,13+,16?;5?,7-,8?,9-,10-,11?,12-,13+,16?;;6?,7-,9+/m01.1/s1.

What are the key properties of 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?

2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 1445.43 g/mol, XLogP of -9.28, 16 rotatable bonds, 26 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 160794949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).