6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane

C32H54N6O2 — CID 143340754

About 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane

6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane (PubChem CID 143340754) has the molecular formula C32H54N6O2 and a molecular weight of 554.82 g/mol. Its IUPAC name is 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane.

Molecular Properties

• Compound Name: 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane
• PubChem CID: 143340754
• Molecular Formula: C32H54N6O2
• Molecular Weight: 554.82 g/mol
• Exact Mass: 554.43
• IUPAC Name: 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane
• SMILES: CC.CC.CCCN(CCC)c1cc(N/N=C2\CCCc3c(C)cc(C)cc32)nc(OCCN2CCOCC2)n1
• InChI: InChI=1S/C28H42N6O2.2C2H6/c1-5-10-34(11-6-2)27-20-26(29-28(30-27)36-17-14-33-12-15-35-16-13-33)32-31-25-9-7-8-23-22(4)18-21(3)19-24(23)25;2*1-2/h18-20H,5-17H2,1-4H3,(H,29,30,32);2*1-2H3/b31-25+
• InChIKey: SHQSUBAZTGLHIV-ARXDYCJMSA-N
• XLogP: 6.64
• TPSA: 75.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.82
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane?

The IUPAC name of 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane (CID 143340754) is 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane.

What is the SMILES notation for 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane?

The canonical SMILES for 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane is CC.CC.CCCN(CCC)c1cc(N/N=C2\CCCc3c(C)cc(C)cc32)nc(OCCN2CCOCC2)n1.

What is the InChIKey of 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane?

The InChIKey is SHQSUBAZTGLHIV-ARXDYCJMSA-N. The full InChI is InChI=1S/C28H42N6O2.2C2H6/c1-5-10-34(11-6-2)27-20-26(29-28(30-27)36-17-14-33-12-15-35-16-13-33)32-31-25-9-7-8-23-22(4)18-21(3)19-24(23)25;2*1-2/h18-20H,5-17H2,1-4H3,(H,29,30,32);2*1-2H3/b31-25+;;.

What are the key properties of 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane?

6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane has a molecular weight of 554.82 g/mol, XLogP of 6.64, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane is sourced from PubChem (CID 143340754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).