(2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

C24H26ClN5O — CID 110252665

About (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

(2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110252665) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 110252665
• Molecular Formula: C24H26ClN5O
• Molecular Weight: 435.96 g/mol
• Exact Mass: 435.18
• IUPAC Name: (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: Cc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)c3cnc(N)nc3C)C2)n1
• InChI: InChI=1S/C24H26ClN5O/c1-15-10-17(11-18-6-3-4-8-21(18)25)12-22(28-15)19-7-5-9-30(14-19)23(31)20-13-27-24(26)29-16(20)2/h3-4,6,8,10,12-13,19H,5,7,9,11,14H2,1-2H3,(H2,26,27,29)
• InChIKey: GISZYMFOIBBAFE-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 85.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.96
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (CID 110252665) is (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is Cc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)c3cnc(N)nc3C)C2)n1.

What is the InChIKey of (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is GISZYMFOIBBAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-15-10-17(11-18-6-3-4-8-21(18)25)12-22(28-15)19-7-5-9-30(14-19)23(31)20-13-27-24(26)29-16(20)2/h3-4,6,8,10,12-13,19H,5,7,9,11,14H2,1-2H3,(H2,26,27,29).

What are the key properties of (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

(2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 435.96 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110252665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).