2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine

C31H38N6O3S — CID 25160149

About 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine

2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 25160149) has the molecular formula C31H38N6O3S and a molecular weight of 574.75 g/mol. Its IUPAC name is 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
• PubChem CID: 25160149
• Molecular Formula: C31H38N6O3S
• Molecular Weight: 574.75 g/mol
• Exact Mass: 574.27
• IUPAC Name: 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
• SMILES: Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cccnc3n2)c(OC(C)C)cc1C1CCNCC1
• InChI: InChI=1S/C31H38N6O3S/c1-19(2)40-27-18-24(22-12-15-32-16-13-22)21(5)17-26(27)35-31-36-29-23(9-8-14-33-29)30(37-31)34-25-10-6-7-11-28(25)41(38,39)20(3)4/h6-11,14,17-20,22,32H,12-13,15-16H2,1-5H3,(H2,33,34,35,36,37)
• InChIKey: VPKMOGDHBGRPSL-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 118.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.75
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine (CID 25160149) is 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cccnc3n2)c(OC(C)C)cc1C1CCNCC1.

What is the InChIKey of 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?

The InChIKey is VPKMOGDHBGRPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O3S/c1-19(2)40-27-18-24(22-12-15-32-16-13-22)21(5)17-26(27)35-31-36-29-23(9-8-14-33-29)30(37-31)34-25-10-6-7-11-28(25)41(38,39)20(3)4/h6-11,14,17-20,22,32H,12-13,15-16H2,1-5H3,(H2,33,34,35,36,37).

What are the key properties of 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?

2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 574.75 g/mol, XLogP of 6.26, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 25160149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).