6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H32N4O — CID 92580413

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

6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92580413) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 92580413
• Molecular Formula: C23H32N4O
• Molecular Weight: 380.54 g/mol
• Exact Mass: 380.26
• IUPAC Name: 6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CC(C)Oc1cccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1
• InChI: InChI=1S/C23H32N4O/c1-17(2)28-20-8-6-7-18(13-20)15-27-11-5-4-9-22(27)23-24-14-19-16-26(3)12-10-21(19)25-23/h6-8,13-14,17,22H,4-5,9-12,15-16H2,1-3H3/t22-/m0/s1
• InChIKey: HPEBKWHNULPIBN-QFIPXVFZSA-N
• XLogP: 3.98
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.54
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92580413) is 6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)Oc1cccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1.

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

The InChIKey is HPEBKWHNULPIBN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N4O/c1-17(2)28-20-8-6-7-18(13-20)15-27-11-5-4-9-22(27)23-24-14-19-16-26(3)12-10-21(19)25-23/h6-8,13-14,17,22H,4-5,9-12,15-16H2,1-3H3/t22-/m0/s1.

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

6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 380.54 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92580413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).