N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride

C22H25Cl2N5O2 — CID 137081429

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride (PubChem CID 137081429) has the molecular formula C22H25Cl2N5O2 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride.

Molecular Properties

• Compound Name: N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride
• PubChem CID: 137081429
• Molecular Formula: C22H25Cl2N5O2
• Molecular Weight: 462.38 g/mol
• Exact Mass: 461.14
• IUPAC Name: N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride
• SMILES: Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC1CCCc2cc(N)ccc21.Cl.Cl
• InChI: InChI=1S/C22H23N5O2.2ClH/c1-13-18(22(29)27-21(25-13)15-5-3-9-24-12-15)11-20(28)26-19-6-2-4-14-10-16(23)7-8-17(14)19;;/h3,5,7-10,12,19H,2,4,6,11,23H2,1H3,(H,26,28)(H,25,27,29);2*1H
• InChIKey: GRWNNSGHTRPZLB-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.38
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride?

The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride (CID 137081429) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride.

What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride?

The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride is Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC1CCCc2cc(N)ccc21.Cl.Cl.

What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride?

The InChIKey is GRWNNSGHTRPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.2ClH/c1-13-18(22(29)27-21(25-13)15-5-3-9-24-12-15)11-20(28)26-19-6-2-4-14-10-16(23)7-8-17(14)19;;/h3,5,7-10,12,19H,2,4,6,11,23H2,1H3,(H,26,28)(H,25,27,29);2*1H.

What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride?

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride has a molecular weight of 462.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride is sourced from PubChem (CID 137081429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).