2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C59H54Cl5N27O8S — CID 159463778

About 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 159463778) has the molecular formula C59H54Cl5N27O8S and a molecular weight of 1478.59 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 159463778
• Molecular Formula: C59H54Cl5N27O8S
• Molecular Weight: 1478.59 g/mol
• Exact Mass: 1475.28
• IUPAC Name: 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• SMILES: Clc1nc(NCc2nccs2)c2cn[nH]c2n1.O=C(NCCO)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.OCCCNc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.OCc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.[C-]#[N+]c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1
• InChI: InChI=1S/C14H14ClN5O3.C13H15ClN6O2.C12H8ClN5O.C11H10ClN5O2.C9H7ClN6S/c15-14-19-11(17-7-8-2-1-5-23-8)9-6-10(18-12(9)20-14)13(22)16-3-4-21;14-12-18-10(16-7-8-3-1-6-22-8)9-11(19-12)20-13(17-9)15-4-2-5-21;1-14-9-5-8-10(15-6-7-3-2-4-19-7)17-12(13)18-11(8)16-9;12-11-16-9(13-4-6-2-1-3-19-6)8-10(17-11)15-7(5-18)14-8;10-9-14-7(5-3-13-16-8(5)15-9)12-4-6-11-1-2-17-6/h1-2,5-6,21H,3-4,7H2,(H,16,22)(H2,17,18,19,20);1,3,6,21H,2,4-5,7H2,(H3,15,16,17,18,19,20);2-5H,6H2,(H2,15,16,17,18);1-3,18H,4-5H2,(H2,13,14,15,16,17);1-3H,4H2,(H2,12,13,14,15,16)
• InChIKey: LUXOURPRMDSSJJ-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 478.30 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1478.59
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 159463778) is 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Clc1nc(NCc2nccs2)c2cn[nH]c2n1.O=C(NCCO)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.OCCCNc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.OCc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.[C-]#[N+]c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.

What is the InChIKey of 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The InChIKey is LUXOURPRMDSSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O3.C13H15ClN6O2.C12H8ClN5O.C11H10ClN5O2.C9H7ClN6S/c15-14-19-11(17-7-8-2-1-5-23-8)9-6-10(18-12(9)20-14)13(22)16-3-4-21;14-12-18-10(16-7-8-3-1-6-22-8)9-11(19-12)20-13(17-9)15-4-2-5-21;1-14-9-5-8-10(15-6-7-3-2-4-19-7)17-12(13)18-11(8)16-9;12-11-16-9(13-4-6-2-1-3-19-6)8-10(17-11)15-7(5-18)14-8;10-9-14-7(5-3-13-16-8(5)15-9)12-4-6-11-1-2-17-6/h1-2,5-6,21H,3-4,7H2,(H,16,22)(H2,17,18,19,20);1,3,6,21H,2,4-5,7H2,(H3,15,16,17,18,19,20);2-5H,6H2,(H2,15,16,17,18);1-3,18H,4-5H2,(H2,13,14,15,16,17);1-3H,4H2,(H2,12,13,14,15,16).

What are the key properties of 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1478.59 g/mol, XLogP of 10.69, 23 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159463778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).