2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C27H36N6 — CID 71244757

About 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71244757) has the molecular formula C27H36N6 and a molecular weight of 444.63 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71244757
• Molecular Formula: C27H36N6
• Molecular Weight: 444.63 g/mol
• Exact Mass: 444.30
• IUPAC Name: 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1cccc(C)c1-c1nc2c(c(N3CCC[C@H]3C)n1)CN(c1cc(C(C)C)nn1C)CC2
• InChI: InChI=1S/C27H36N6/c1-17(2)23-15-24(31(6)30-23)32-14-12-22-21(16-32)27(33-13-8-11-20(33)5)29-26(28-22)25-18(3)9-7-10-19(25)4/h7,9-10,15,17,20H,8,11-14,16H2,1-6H3/t20-/m1/s1
• InChIKey: FEOGQKSUYCNILE-HXUWFJFHSA-N
• XLogP: 5.17
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.63
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71244757) is 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cccc(C)c1-c1nc2c(c(N3CCC[C@H]3C)n1)CN(c1cc(C(C)C)nn1C)CC2.

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

The InChIKey is FEOGQKSUYCNILE-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H36N6/c1-17(2)23-15-24(31(6)30-23)32-14-12-22-21(16-32)27(33-13-8-11-20(33)5)29-26(28-22)25-18(3)9-7-10-19(25)4/h7,9-10,15,17,20H,8,11-14,16H2,1-6H3/t20-/m1/s1.

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

2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 444.63 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-[(2R)-2-methylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71244757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).