2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C33H44N4O — CID 71244767

About 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71244767) has the molecular formula C33H44N4O and a molecular weight of 512.74 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71244767
• Molecular Formula: C33H44N4O
• Molecular Weight: 512.74 g/mol
• Exact Mass: 512.35
• IUPAC Name: 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CO[C@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C
• InChI: InChI=1S/C33H44N4O/c1-21(2)25-13-12-22(3)28(18-25)36-16-14-27-26(19-36)32(37-17-15-29(38-8)33(6,7)20-37)35-31(34-27)30-23(4)10-9-11-24(30)5/h9-13,18,21,29H,14-17,19-20H2,1-8H3/t29-/m0/s1
• InChIKey: OMQYMRXKAIWUFB-LJAQVGFWSA-N
• XLogP: 7.01
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.74
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71244767) is 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CO[C@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C.

What is the InChIKey of 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is OMQYMRXKAIWUFB-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H44N4O/c1-21(2)25-13-12-22(3)28(18-25)36-16-14-27-26(19-36)32(37-17-15-29(38-8)33(6,7)20-37)35-31(34-27)30-23(4)10-9-11-24(30)5/h9-13,18,21,29H,14-17,19-20H2,1-8H3/t29-/m0/s1.

What are the key properties of 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 512.74 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71244767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).