7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride

C88H101Cl10N33O14 — CID 157148866

About 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride

7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride (PubChem CID 157148866) has the molecular formula C88H101Cl10N33O14 and a molecular weight of 2199.52 g/mol. Its IUPAC name is 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride
• PubChem CID: 157148866
• Molecular Formula: C88H101Cl10N33O14
• Molecular Weight: 2199.52 g/mol
• Exact Mass: 2193.51
• IUPAC Name: 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1nn(C)cc1Nc1ncc2c(n1)N(C)C(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2.CCN(CC)CC.COc1cc(OC)c(Cl)c(N2Cc3cnc(Cl)nc3N(C)C2=O)c1Cl.COc1cc(OC)c(Cl)c(N2Cc3cnc(Nc4cn(C)nc4N)nc3N(C)C2=O)c1Cl.COc1cc(OC)c(Cl)c(N2Cc3cnc(Nc4cnn(C)c4N)nc3N(C)C2=O)c1Cl.Cn1cc(N)c(N)n1
• InChI: InChI=1S/C22H22Cl2N8O4.2C19H20Cl2N8O3.C15H13Cl3N4O3.C6H15N.C4H8N4.C3H3ClO/c1-6-15(33)27-19-12(10-30(2)29-19)26-21-25-8-11-9-32(22(34)31(3)20(11)28-21)18-16(23)13(35-4)7-14(36-5)17(18)24;1-27-17-9(6-23-18(26-17)25-10-7-24-28(2)16(10)22)8-29(19(27)30)15-13(20)11(31-3)5-12(32-4)14(15)21;1-27-8-10(16(22)26-27)24-18-23-6-9-7-29(19(30)28(2)17(9)25-18)15-13(20)11(31-3)5-12(32-4)14(15)21;1-21-13-7(5-19-14(18)20-13)6-22(15(21)23)12-10(16)8(24-2)4-9(25-3)11(12)17;1-4-7(5-2)6-3;1-8-2-3(5)4(6)7-8;1-2-3(4)5/h6-8,10H,1,9H2,2-5H3,(H,25,26,28)(H,27,29,33);5-7H,8,22H2,1-4H3,(H,23,25,26);5-6,8H,7H2,1-4H3,(H2,22,26)(H,23,24,25);4-5H,6H2,1-3H3;4-6H2,1-3H3;2H,5H2,1H3,(H2,6,7);2H,1H2
• InChIKey: ALAFKWUXJFANGP-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 532.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2199.52
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride?

The IUPAC name of 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride (CID 157148866) is 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride.

What is the SMILES notation for 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride?

The canonical SMILES for 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1nn(C)cc1Nc1ncc2c(n1)N(C)C(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2.CCN(CC)CC.COc1cc(OC)c(Cl)c(N2Cc3cnc(Cl)nc3N(C)C2=O)c1Cl.COc1cc(OC)c(Cl)c(N2Cc3cnc(Nc4cn(C)nc4N)nc3N(C)C2=O)c1Cl.COc1cc(OC)c(Cl)c(N2Cc3cnc(Nc4cnn(C)c4N)nc3N(C)C2=O)c1Cl.Cn1cc(N)c(N)n1.

What is the InChIKey of 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride?

The InChIKey is ALAFKWUXJFANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N8O4.2C19H20Cl2N8O3.C15H13Cl3N4O3.C6H15N.C4H8N4.C3H3ClO/c1-6-15(33)27-19-12(10-30(2)29-19)26-21-25-8-11-9-32(22(34)31(3)20(11)28-21)18-16(23)13(35-4)7-14(36-5)17(18)24;1-27-17-9(6-23-18(26-17)25-10-7-24-28(2)16(10)22)8-29(19(27)30)15-13(20)11(31-3)5-12(32-4)14(15)21;1-27-8-10(16(22)26-27)24-18-23-6-9-7-29(19(30)28(2)17(9)25-18)15-13(20)11(31-3)5-12(32-4)14(15)21;1-21-13-7(5-19-14(18)20-13)6-22(15(21)23)12-10(16)8(24-2)4-9(25-3)11(12)17;1-4-7(5-2)6-3;1-8-2-3(5)4(6)7-8;1-2-3(4)5/h6-8,10H,1,9H2,2-5H3,(H,25,26,28)(H,27,29,33);5-7H,8,22H2,1-4H3,(H,23,25,26);5-6,8H,7H2,1-4H3,(H2,22,26)(H,23,24,25);4-5H,6H2,1-3H3;4-6H2,1-3H3;2H,5H2,1H3,(H2,6,7);2H,1H2.

What are the key properties of 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride?

7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride has a molecular weight of 2199.52 g/mol, XLogP of 16.75, 24 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-[(5-amino-1-methylpyrazol-4-yl)amino]-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1-methylpyrazol-3-yl]prop-2-enamide;N,N-diethylethanamine;1-methylpyrazole-3,4-diamine;prop-2-enoyl chloride is sourced from PubChem (CID 157148866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).