6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate

C30H44N8O8 — CID 158662330

About 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate

6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate (PubChem CID 158662330) has the molecular formula C30H44N8O8 and a molecular weight of 644.73 g/mol. Its IUPAC name is 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate.

Molecular Properties

• Compound Name: 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate
• PubChem CID: 158662330
• Molecular Formula: C30H44N8O8
• Molecular Weight: 644.73 g/mol
• Exact Mass: 644.33
• IUPAC Name: 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate
• SMILES: CO.COc1ccc(Cn2c(=O)cc(N)n(C)c2=O)cc1.COc1ccc(Cn2c(=O)cc(N=CN(C)C)n(C)c2=O)cc1.N.O
• InChI: InChI=1S/C16H20N4O3.C13H15N3O3.CH4O.H3N.H2O/c1-18(2)11-17-14-9-15(21)20(16(22)19(14)3)10-12-5-7-13(23-4)8-6-12;1-15-11(14)7-12(17)16(13(15)18)8-9-3-5-10(19-2)6-4-9;1-2;;/h5-9,11H,10H2,1-4H3;3-7H,8,14H2,1-2H3;2H,1H3;1H3;1H2
• InChIKey: FSAXJPDETXPZIS-UHFFFAOYSA-N
• XLogP: -0.04
• TPSA: 234.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.73
LogP ≤ 5	-0.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate?

The IUPAC name of 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate (CID 158662330) is 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate.

What is the SMILES notation for 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate?

The canonical SMILES for 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate is CO.COc1ccc(Cn2c(=O)cc(N)n(C)c2=O)cc1.COc1ccc(Cn2c(=O)cc(N=CN(C)C)n(C)c2=O)cc1.N.O.

What is the InChIKey of 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate?

The InChIKey is FSAXJPDETXPZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.C13H15N3O3.CH4O.H3N.H2O/c1-18(2)11-17-14-9-15(21)20(16(22)19(14)3)10-12-5-7-13(23-4)8-6-12;1-15-11(14)7-12(17)16(13(15)18)8-9-3-5-10(19-2)6-4-9;1-2;;/h5-9,11H,10H2,1-4H3;3-7H,8,14H2,1-2H3;2H,1H3;1H3;1H2.

What are the key properties of 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate?

6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate has a molecular weight of 644.73 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-[(4-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione;azane;methanol;N'-[1-[(4-methoxyphenyl)methyl]-3-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide;hydrate is sourced from PubChem (CID 158662330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).