6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H21N5O2S — CID 24912614

About 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912614) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24912614
• Molecular Formula: C20H21N5O2S
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.14
• IUPAC Name: 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1nc(-c2ccccc2)ncc1CN1CCc2nc(S(C)(=O)=O)ncc2C1
• InChI: InChI=1S/C20H21N5O2S/c1-14-16(10-21-19(23-14)15-6-4-3-5-7-15)12-25-9-8-18-17(13-25)11-22-20(24-18)28(2,26)27/h3-7,10-11H,8-9,12-13H2,1-2H3
• InChIKey: POCORLVKORQGBY-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 88.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912614) is 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc(-c2ccccc2)ncc1CN1CCc2nc(S(C)(=O)=O)ncc2C1.

What is the InChIKey of 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is POCORLVKORQGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-14-16(10-21-19(23-14)15-6-4-3-5-7-15)12-25-9-8-18-17(13-25)11-22-20(24-18)28(2,26)27/h3-7,10-11H,8-9,12-13H2,1-2H3.

What are the key properties of 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 395.49 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).