N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide

C34H41N5O2 — CID 21047519

About N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide

N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide (PubChem CID 21047519) has the molecular formula C34H41N5O2 and a molecular weight of 551.74 g/mol. Its IUPAC name is N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
• PubChem CID: 21047519
• Molecular Formula: C34H41N5O2
• Molecular Weight: 551.74 g/mol
• Exact Mass: 551.33
• IUPAC Name: N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
• SMILES: Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1
• InChI: InChI=1S/C34H41N5O2/c1-21-14-27-28(34(5,6)13-12-33(27,3)4)18-25(21)17-26-10-11-29(41-26)31(40)37-20-24-9-7-8-23(16-24)19-36-30-15-22(2)38-32(35)39-30/h7-11,14-16,18H,12-13,17,19-20H2,1-6H3,(H,37,40)(H3,35,36,38,39)
• InChIKey: LDBQTNQSCCQVQN-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 106.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.74
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?

The IUPAC name of N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide (CID 21047519) is N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide is Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1.

What is the InChIKey of N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?

The InChIKey is LDBQTNQSCCQVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O2/c1-21-14-27-28(34(5,6)13-12-33(27,3)4)18-25(21)17-26-10-11-29(41-26)31(40)37-20-24-9-7-8-23(16-24)19-36-30-15-22(2)38-32(35)39-30/h7-11,14-16,18H,12-13,17,19-20H2,1-6H3,(H,37,40)(H3,35,36,38,39).

What are the key properties of N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?

N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide has a molecular weight of 551.74 g/mol, XLogP of 6.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).