N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C22H31N5O2S — CID 92625534

About N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 92625534) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• PubChem CID: 92625534
• Molecular Formula: C22H31N5O2S
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.22
• IUPAC Name: N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• SMILES: CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2
• InChI: InChI=1S/C22H31N5O2S/c1-23-22-19-16-27(30(28,29)15-11-17-6-4-3-5-7-17)14-10-20(19)24-21(25-22)18-8-12-26(2)13-9-18/h3-7,18H,8-16H2,1-2H3,(H,23,24,25)
• InChIKey: WXJUMGPHWWCDHP-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The IUPAC name of N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 92625534) is N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The canonical SMILES for N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2.

What is the InChIKey of N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The InChIKey is WXJUMGPHWWCDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-23-22-19-16-27(30(28,29)15-11-17-6-4-3-5-7-17)14-10-20(19)24-21(25-22)18-8-12-26(2)13-9-18/h3-7,18H,8-16H2,1-2H3,(H,23,24,25).

What are the key properties of N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 429.59 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-(1-methylpiperidin-4-yl)-6-(2-phenylethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 92625534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).