8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride

C18H26Cl2N6O — CID 137045866

About 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride

8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride (PubChem CID 137045866) has the molecular formula C18H26Cl2N6O and a molecular weight of 413.35 g/mol. Its IUPAC name is 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride.

Molecular Properties

• Compound Name: 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride
• PubChem CID: 137045866
• Molecular Formula: C18H26Cl2N6O
• Molecular Weight: 413.35 g/mol
• Exact Mass: 412.15
• IUPAC Name: 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride
• SMILES: CN1CCCc2c1nc(N1CCN(Cc3ccccn3)CC1)[nH]c2=O.Cl.Cl
• InChI: InChI=1S/C18H24N6O.2ClH/c1-22-8-4-6-15-16(22)20-18(21-17(15)25)24-11-9-23(10-12-24)13-14-5-2-3-7-19-14;;/h2-3,5,7H,4,6,8-13H2,1H3,(H,20,21,25);2*1H
• InChIKey: AJVGWPDSPSVSLI-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 68.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.35
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride?

The IUPAC name of 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride (CID 137045866) is 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride.

What is the SMILES notation for 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride?

The canonical SMILES for 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride is CN1CCCc2c1nc(N1CCN(Cc3ccccn3)CC1)[nH]c2=O.Cl.Cl.

What is the InChIKey of 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride?

The InChIKey is AJVGWPDSPSVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O.2ClH/c1-22-8-4-6-15-16(22)20-18(21-17(15)25)24-11-9-23(10-12-24)13-14-5-2-3-7-19-14;;/h2-3,5,7H,4,6,8-13H2,1H3,(H,20,21,25);2*1H.

What are the key properties of 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride?

8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride has a molecular weight of 413.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 137045866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).