(Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine

C38H36N4 — CID 139314864

About (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine

(Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine (PubChem CID 139314864) has the molecular formula C38H36N4 and a molecular weight of 548.73 g/mol. Its IUPAC name is (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine
• PubChem CID: 139314864
• Molecular Formula: C38H36N4
• Molecular Weight: 548.73 g/mol
• Exact Mass: 548.29
• IUPAC Name: (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine
• SMILES: CCC1C(c2ccccc2)=NC(c2c(-c3ccc(/C(N)=C/C=N/C)cc3)ccc3ccccc23)NC1c1ccccc1
• InChI: InChI=1S/C38H36N4/c1-3-31-36(29-13-6-4-7-14-29)41-38(42-37(31)30-15-8-5-9-16-30)35-32-17-11-10-12-26(32)22-23-33(35)27-18-20-28(21-19-27)34(39)24-25-40-2/h4-25,31,36,38,41H,3,39H2,1-2H3/b34-24-,40-25+
• InChIKey: GPKUKXFCRZCJBQ-NUJKAAJJSA-N
• XLogP: 8.37
• TPSA: 62.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.73
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine?

The IUPAC name of (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine (CID 139314864) is (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine.

What is the SMILES notation for (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine?

The canonical SMILES for (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine is CCC1C(c2ccccc2)=NC(c2c(-c3ccc(/C(N)=C/C=N/C)cc3)ccc3ccccc23)NC1c1ccccc1.

What is the InChIKey of (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine?

The InChIKey is GPKUKXFCRZCJBQ-NUJKAAJJSA-N. The full InChI is InChI=1S/C38H36N4/c1-3-31-36(29-13-6-4-7-14-29)41-38(42-37(31)30-15-8-5-9-16-30)35-32-17-11-10-12-26(32)22-23-33(35)27-18-20-28(21-19-27)34(39)24-25-40-2/h4-25,31,36,38,41H,3,39H2,1-2H3/b34-24-,40-25+.

What are the key properties of (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine?

(Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 548.73 g/mol, XLogP of 8.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[4-[1-(5-ethyl-4,6-diphenyl-1,2,5,6-tetrahydropyrimidin-2-yl)naphthalen-2-yl]phenyl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 139314864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).