7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

C51H52N18O6 — CID 161363141

About 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 161363141) has the molecular formula C51H52N18O6 and a molecular weight of 1013.10 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 161363141
• Molecular Formula: C51H52N18O6
• Molecular Weight: 1013.10 g/mol
• Exact Mass: 1012.43
• IUPAC Name: 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
• SMILES: Cn1c(=O)c2c(-c3ccccc3C#N)c(CN)c(N)nc2n(C)c1=O.Cn1c(=O)c2c(-c3ccccc3CN)c(C#N)c(N)nc2n(C)c1=O.Cn1c(=O)c2c(-c3ccccc3CN)c(CN)c(N)nc2n(C)c1=O
• InChI: InChI=1S/C17H20N6O2.2C17H16N6O2/c3*1-22-15-13(16(24)23(2)17(22)25)12(11(8-19)14(20)21-15)10-6-4-3-5-9(10)7-18/h3-6H,7-8,18-19H2,1-2H3,(H2,20,21);3-6H,8,19H2,1-2H3,(H2,20,21);3-6H,7,18H2,1-2H3,(H2,20,21)
• InChIKey: VPLNIGVOFIOBNG-UHFFFAOYSA-N
• XLogP: 0.22
• TPSA: 400.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1013.10
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 161363141) is 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is Cn1c(=O)c2c(-c3ccccc3C#N)c(CN)c(N)nc2n(C)c1=O.Cn1c(=O)c2c(-c3ccccc3CN)c(C#N)c(N)nc2n(C)c1=O.Cn1c(=O)c2c(-c3ccccc3CN)c(CN)c(N)nc2n(C)c1=O.

What is the InChIKey of 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The InChIKey is VPLNIGVOFIOBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2.2C17H16N6O2/c3*1-22-15-13(16(24)23(2)17(22)25)12(11(8-19)14(20)21-15)10-6-4-3-5-9(10)7-18/h3-6H,7-8,18-19H2,1-2H3,(H2,20,21);3-6H,8,19H2,1-2H3,(H2,20,21);3-6H,7,18H2,1-2H3,(H2,20,21).

What are the key properties of 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?

7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 1013.10 g/mol, XLogP of 0.22, 7 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-6-(aminomethyl)-5-[2-(aminomethyl)phenyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;2-[7-amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile;7-amino-5-[2-(aminomethyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 161363141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).