4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine

C87H110Cl4N20O26 — CID 158964450

About 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine

4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 158964450) has the molecular formula C87H110Cl4N20O26 and a molecular weight of 1993.76 g/mol. Its IUPAC name is 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

• Compound Name: 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine
• PubChem CID: 158964450
• Molecular Formula: C87H110Cl4N20O26
• Molecular Weight: 1993.76 g/mol
• Exact Mass: 1990.67
• IUPAC Name: 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine
• SMILES: COC(=O)c1ncnc(N)c1CN(Cc1c(OC)cc(OC)cc1OC)C(=O)OC(C)(C)C.COc1cc(OC)c(CN(Cc2c(N)ncnc2C(=O)O)C(=O)OC(C)(C)C)c(OC)c1.COc1cc(OC)c(CN(Cc2c(N)ncnc2Cl)C(=O)OC(C)(C)C)c(OC)c1.COc1cc(OC)c(CN)c(OC)c1.Nc1ncnc(Cl)c1C=O.O=Cc1c(Cl)ncnc1Cl.O=c1cc(O)nc[nH]1
• InChI: InChI=1S/C22H30N4O7.C21H28N4O7.C20H27ClN4O5.C10H15NO3.C5H2Cl2N2O.C5H4ClN3O.C4H4N2O2/c1-22(2,3)33-21(28)26(11-15-18(20(27)32-7)24-12-25-19(15)23)10-14-16(30-5)8-13(29-4)9-17(14)31-6;1-21(2,3)32-20(28)25(10-14-17(19(26)27)23-11-24-18(14)22)9-13-15(30-5)7-12(29-4)8-16(13)31-6;1-20(2,3)30-19(26)25(10-14-17(21)23-11-24-18(14)22)9-13-15(28-5)7-12(27-4)8-16(13)29-6;1-12-7-4-9(13-2)8(6-11)10(5-7)14-3;2*6-4-3(1-10)5(7)9-2-8-4;7-3-1-4(8)6-2-5-3/h8-9,12H,10-11H2,1-7H3,(H2,23,24,25);7-8,11H,9-10H2,1-6H3,(H,26,27)(H2,22,23,24);7-8,11H,9-10H2,1-6H3,(H2,22,23,24);4-5H,6,11H2,1-3H3;1-2H;1-2H,(H2,7,8,9);1-2H,(H2,5,6,7,8)
• InChIKey: JNACORJLELTWQL-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 622.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1993.76
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine?

The IUPAC name of 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine (CID 158964450) is 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine.

What is the SMILES notation for 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine?

The canonical SMILES for 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine is COC(=O)c1ncnc(N)c1CN(Cc1c(OC)cc(OC)cc1OC)C(=O)OC(C)(C)C.COc1cc(OC)c(CN(Cc2c(N)ncnc2C(=O)O)C(=O)OC(C)(C)C)c(OC)c1.COc1cc(OC)c(CN(Cc2c(N)ncnc2Cl)C(=O)OC(C)(C)C)c(OC)c1.COc1cc(OC)c(CN)c(OC)c1.Nc1ncnc(Cl)c1C=O.O=Cc1c(Cl)ncnc1Cl.O=c1cc(O)nc[nH]1.

What is the InChIKey of 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine?

The InChIKey is JNACORJLELTWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O7.C21H28N4O7.C20H27ClN4O5.C10H15NO3.C5H2Cl2N2O.C5H4ClN3O.C4H4N2O2/c1-22(2,3)33-21(28)26(11-15-18(20(27)32-7)24-12-25-19(15)23)10-14-16(30-5)8-13(29-4)9-17(14)31-6;1-21(2,3)32-20(28)25(10-14-17(19(26)27)23-11-24-18(14)22)9-13-15(30-5)7-12(29-4)8-16(13)31-6;1-20(2,3)30-19(26)25(10-14-17(21)23-11-24-18(14)22)9-13-15(28-5)7-12(27-4)8-16(13)29-6;1-12-7-4-9(13-2)8(6-11)10(5-7)14-3;2*6-4-3(1-10)5(7)9-2-8-4;7-3-1-4(8)6-2-5-3/h8-9,12H,10-11H2,1-7H3,(H2,23,24,25);7-8,11H,9-10H2,1-6H3,(H,26,27)(H2,22,23,24);7-8,11H,9-10H2,1-6H3,(H2,22,23,24);4-5H,6,11H2,1-3H3;1-2H;1-2H,(H2,7,8,9);1-2H,(H2,5,6,7,8).

What are the key properties of 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine?

4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine has a molecular weight of 1993.76 g/mol, XLogP of 11.97, 29 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-chloropyrimidine-5-carbaldehyde;6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylic acid;tert-butyl N-[(4-amino-6-chloropyrimidin-5-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]carbamate;4,6-dichloropyrimidine-5-carbaldehyde;4-hydroxy-1H-pyrimidin-6-one;methyl 6-amino-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]methyl]pyrimidine-4-carboxylate;(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 158964450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).