2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride

C80H106Cl8N24O23S — CID 158288211

About 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride

2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride (PubChem CID 158288211) has the molecular formula C80H106Cl8N24O23S and a molecular weight of 2087.56 g/mol. Its IUPAC name is 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride
• PubChem CID: 158288211
• Molecular Formula: C80H106Cl8N24O23S
• Molecular Weight: 2087.56 g/mol
• Exact Mass: 2082.51
• IUPAC Name: 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride
• SMILES: C.C.C1=CCOC1.C=CC(=O)Cl.C=CC(=O)NC1COCC1Nc1ncc2c(n1)NC(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2.CC1COCC1OS(C)(=O)=O.COc1cc(OC)c(Cl)c(N2Cc3cnc(Cl)nc3NC2=O)c1Cl.COc1cc(OC)c(Cl)c(N2Cc3cnc(NC4COCC4N)nc3NC2=O)c1Cl.NC1COCC1N.OC1COCC1O.[N-]=[N+]=NC1COCC1N=[N+]=[N-]
• InChI: InChI=1S/C21H22Cl2N6O5.C18H20Cl2N6O4.C14H11Cl3N4O3.C6H12O4S.C4H6N6O.C4H10N2O.C4H8O3.C4H6O.C3H3ClO.2CH4/c1-4-15(30)25-11-8-34-9-12(11)26-20-24-6-10-7-29(21(31)28-19(10)27-20)18-16(22)13(32-2)5-14(33-3)17(18)23;1-28-11-3-12(29-2)14(20)15(13(11)19)26-5-8-4-22-17(24-16(8)25-18(26)27)23-10-7-30-6-9(10)21;1-23-7-3-8(24-2)10(16)11(9(7)15)21-5-6-4-18-13(17)19-12(6)20-14(21)22;1-5-3-9-4-6(5)10-11(2,7)8;5-9-7-3-1-11-2-4(3)8-10-6;2*5-3-1-7-2-4(3)6;1-2-4-5-3-1;1-2-3(4)5;;/h4-6,11-12H,1,7-9H2,2-3H3,(H,25,30)(H2,24,26,27,28,31);3-4,9-10H,5-7,21H2,1-2H3,(H2,22,23,24,25,27);3-4H,5H2,1-2H3,(H,18,19,20,22);5-6H,3-4H2,1-2H3;3-4H,1-2H2;3-4H,1-2,5-6H2;3-6H,1-2H2;1-2H,3-4H2;2H,1H2;2*1H4
• InChIKey: GLASRGFPIHZSMY-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 623.99 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2087.56
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride?

The IUPAC name of 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride (CID 158288211) is 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride.

What is the SMILES notation for 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride?

The canonical SMILES for 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride is C.C.C1=CCOC1.C=CC(=O)Cl.C=CC(=O)NC1COCC1Nc1ncc2c(n1)NC(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2.CC1COCC1OS(C)(=O)=O.COc1cc(OC)c(Cl)c(N2Cc3cnc(Cl)nc3NC2=O)c1Cl.COc1cc(OC)c(Cl)c(N2Cc3cnc(NC4COCC4N)nc3NC2=O)c1Cl.NC1COCC1N.OC1COCC1O.[N-]=[N+]=NC1COCC1N=[N+]=[N-].

What is the InChIKey of 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride?

The InChIKey is GLASRGFPIHZSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N6O5.C18H20Cl2N6O4.C14H11Cl3N4O3.C6H12O4S.C4H6N6O.C4H10N2O.C4H8O3.C4H6O.C3H3ClO.2CH4/c1-4-15(30)25-11-8-34-9-12(11)26-20-24-6-10-7-29(21(31)28-19(10)27-20)18-16(22)13(32-2)5-14(33-3)17(18)23;1-28-11-3-12(29-2)14(20)15(13(11)19)26-5-8-4-22-17(24-16(8)25-18(26)27)23-10-7-30-6-9(10)21;1-23-7-3-8(24-2)10(16)11(9(7)15)21-5-6-4-18-13(17)19-12(6)20-14(21)22;1-5-3-9-4-6(5)10-11(2,7)8;5-9-7-3-1-11-2-4(3)8-10-6;2*5-3-1-7-2-4(3)6;1-2-4-5-3-1;1-2-3(4)5;;/h4-6,11-12H,1,7-9H2,2-3H3,(H,25,30)(H2,24,26,27,28,31);3-4,9-10H,5-7,21H2,1-2H3,(H2,22,23,24,25,27);3-4H,5H2,1-2H3,(H,18,19,20,22);5-6H,3-4H2,1-2H3;3-4H,1-2H2;3-4H,1-2,5-6H2;3-6H,1-2H2;1-2H,3-4H2;2H,1H2;2*1H4.

What are the key properties of 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride?

2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride has a molecular weight of 2087.56 g/mol, XLogP of 10.90, 20 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride is sourced from PubChem (CID 158288211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).