acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine

C32H46N6O2 — CID 163374701

About acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine

acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine (PubChem CID 163374701) has the molecular formula C32H46N6O2 and a molecular weight of 546.76 g/mol. Its IUPAC name is acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine.

Molecular Properties

• Compound Name: acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine
• PubChem CID: 163374701
• Molecular Formula: C32H46N6O2
• Molecular Weight: 546.76 g/mol
• Exact Mass: 546.37
• IUPAC Name: acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine
• SMILES: CC.CC#N.CN1CCCC1.COc1nc2c(c(N3CCNCC3)n1)CC(C)C(c1cccc3ccccc13)O2
• InChI: InChI=1S/C23H26N4O2.C5H11N.C2H3N.C2H6/c1-15-14-19-21(27-12-10-24-11-13-27)25-23(28-2)26-22(19)29-20(15)18-9-5-7-16-6-3-4-8-17(16)18;1-6-4-2-3-5-6;1-2-3;1-2/h3-9,15,20,24H,10-14H2,1-2H3;2-5H2,1H3;1H3;1-2H3
• InChIKey: FWFXAFJIZBWRLM-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 86.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.76
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine?

The IUPAC name of acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine (CID 163374701) is acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine.

What is the SMILES notation for acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine?

The canonical SMILES for acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine is CC.CC#N.CN1CCCC1.COc1nc2c(c(N3CCNCC3)n1)CC(C)C(c1cccc3ccccc13)O2.

What is the InChIKey of acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine?

The InChIKey is FWFXAFJIZBWRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C5H11N.C2H3N.C2H6/c1-15-14-19-21(27-12-10-24-11-13-27)25-23(28-2)26-22(19)29-20(15)18-9-5-7-16-6-3-4-8-17(16)18;1-6-4-2-3-5-6;1-2-3;1-2/h3-9,15,20,24H,10-14H2,1-2H3;2-5H2,1H3;1H3;1-2H3.

What are the key properties of acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine?

acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine has a molecular weight of 546.76 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;ethane;2-methoxy-6-methyl-7-naphthalen-1-yl-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine is sourced from PubChem (CID 163374701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).