4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine

C31H42N4 — CID 142511392

About 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine

4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine (PubChem CID 142511392) has the molecular formula C31H42N4 and a molecular weight of 470.71 g/mol. Its IUPAC name is 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine.

Molecular Properties

• Compound Name: 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine
• PubChem CID: 142511392
• Molecular Formula: C31H42N4
• Molecular Weight: 470.71 g/mol
• Exact Mass: 470.34
• IUPAC Name: 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine
• SMILES: C=C(C)/C(C)=C/C(=C\CCC/C=C(/C)C(C)CC)C1=CC(=C)N2C=C(C3=CCNCC3)N=CC2=N1
• InChI: InChI=1S/C31H42N4/c1-8-23(4)24(5)12-10-9-11-13-28(18-25(6)22(2)3)29-19-26(7)35-21-30(33-20-31(35)34-29)27-14-16-32-17-15-27/h12-14,18-21,23,32H,2,7-11,15-17H2,1,3-6H3/b24-12-,25-18+,28-13+
• InChIKey: FJULHAJULFEISI-UHXAXJJCSA-N
• XLogP: 7.56
• TPSA: 39.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.71
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine?

The IUPAC name of 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine (CID 142511392) is 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine.

What is the SMILES notation for 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine?

The canonical SMILES for 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine is C=C(C)/C(C)=C/C(=C\CCC/C=C(/C)C(C)CC)C1=CC(=C)N2C=C(C3=CCNCC3)N=CC2=N1.

What is the InChIKey of 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine?

The InChIKey is FJULHAJULFEISI-UHXAXJJCSA-N. The full InChI is InChI=1S/C31H42N4/c1-8-23(4)24(5)12-10-9-11-13-28(18-25(6)22(2)3)29-19-26(7)35-21-30(33-20-31(35)34-29)27-14-16-32-17-15-27/h12-14,18-21,23,32H,2,7-11,15-17H2,1,3-6H3/b24-12-,25-18+,28-13+.

What are the key properties of 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine?

4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine has a molecular weight of 470.71 g/mol, XLogP of 7.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine is sourced from PubChem (CID 142511392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).