2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C31H39ClN4O — CID 71244769

About 2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71244769) has the molecular formula C31H39ClN4O and a molecular weight of 519.13 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71244769
• Molecular Formula: C31H39ClN4O
• Molecular Weight: 519.13 g/mol
• Exact Mass: 518.28
• IUPAC Name: 2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-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)cccc3Cl)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@H]1C
• InChI: InChI=1S/C31H39ClN4O/c1-19(2)23-11-10-20(3)27(16-23)35-14-12-26-24(18-35)31(36-15-13-28(37-6)22(5)17-36)34-30(33-26)29-21(4)8-7-9-25(29)32/h7-11,16,19,22,28H,12-15,17-18H2,1-6H3/t22-,28-/m1/s1
• InChIKey: JHDPPJOJWOHMET-SKCUWOTOSA-N
• XLogP: 6.96
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.13
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71244769) is 2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-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-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-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)cccc3Cl)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@H]1C.

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

The InChIKey is JHDPPJOJWOHMET-SKCUWOTOSA-N. The full InChI is InChI=1S/C31H39ClN4O/c1-19(2)23-11-10-20(3)27(16-23)35-14-12-26-24(18-35)31(36-15-13-28(37-6)22(5)17-36)34-30(33-26)29-21(4)8-7-9-25(29)32/h7-11,16,19,22,28H,12-15,17-18H2,1-6H3/t22-,28-/m1/s1.

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

2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 519.13 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71244769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).