acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine

C30H40N6O2 — CID 163374711

About acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine

acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine (PubChem CID 163374711) has the molecular formula C30H40N6O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine.

Molecular Properties

• Compound Name: acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine
• PubChem CID: 163374711
• Molecular Formula: C30H40N6O2
• Molecular Weight: 516.69 g/mol
• Exact Mass: 516.32
• IUPAC Name: acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine
• SMILES: CC#N.CN1CCCC1.COc1nc2c(c(N3CCNCC3)n1)CCC(c1cccc3cccc(C)c13)O2
• InChI: InChI=1S/C23H26N4O2.C5H11N.C2H3N/c1-15-5-3-6-16-7-4-8-17(20(15)16)19-10-9-18-21(27-13-11-24-12-14-27)25-23(28-2)26-22(18)29-19;1-6-4-2-3-5-6;1-2-3/h3-8,19,24H,9-14H2,1-2H3;2-5H2,1H3;1H3
• InChIKey: XBMRHGRJMLDVIT-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 86.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.69
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine?

The IUPAC name of acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine (CID 163374711) is acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine.

What is the SMILES notation for acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine?

The canonical SMILES for acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine is CC#N.CN1CCCC1.COc1nc2c(c(N3CCNCC3)n1)CCC(c1cccc3cccc(C)c13)O2.

What is the InChIKey of acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine?

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

What are the key properties of acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine?

acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine has a molecular weight of 516.69 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;1-methylpyrrolidine is sourced from PubChem (CID 163374711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).