2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine

C86H100Br2N10O6 — CID 160772043

About 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine

2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine (PubChem CID 160772043) has the molecular formula C86H100Br2N10O6 and a molecular weight of 1529.62 g/mol. Its IUPAC name is 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine.

Molecular Properties

• Compound Name: 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine
• PubChem CID: 160772043
• Molecular Formula: C86H100Br2N10O6
• Molecular Weight: 1529.62 g/mol
• Exact Mass: 1526.62
• IUPAC Name: 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine
• SMILES: BrCc1ccc2cc(CBr)ccc2c1.Cc1cc(C)nc(N(Cc2ccc3cc(CN(C(=O)OC(C)(C)C)c4cc(C)cc(C)n4)ccc3c2)C(=O)OC(C)(C)C)c1.Cc1cc(C)nc(NC(=O)OC(C)(C)C)c1.Cc1cc(C)nc(NCc2ccc3cc(CNc4cc(C)cc(C)n4)ccc3c2)c1
• InChI: InChI=1S/C36H44N4O4.C26H28N4.C12H10Br2.C12H18N2O2/c1-23-15-25(3)37-31(17-23)39(33(41)43-35(5,6)7)21-27-11-13-30-20-28(12-14-29(30)19-27)22-40(34(42)44-36(8,9)10)32-18-24(2)16-26(4)38-32;1-17-9-19(3)29-25(11-17)27-15-21-5-7-24-14-22(6-8-23(24)13-21)16-28-26-12-18(2)10-20(4)30-26;13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9;1-8-6-9(2)13-10(7-8)14-11(15)16-12(3,4)5/h11-20H,21-22H2,1-10H3;5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30);1-6H,7-8H2;6-7H,1-5H3,(H,13,14,15)
• InChIKey: RZLGFUGRNYZLRL-UHFFFAOYSA-N
• XLogP: 22.51
• TPSA: 185.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1529.62
LogP ≤ 5	22.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine?

The IUPAC name of 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine (CID 160772043) is 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine.

What is the SMILES notation for 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine?

The canonical SMILES for 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine is BrCc1ccc2cc(CBr)ccc2c1.Cc1cc(C)nc(N(Cc2ccc3cc(CN(C(=O)OC(C)(C)C)c4cc(C)cc(C)n4)ccc3c2)C(=O)OC(C)(C)C)c1.Cc1cc(C)nc(NC(=O)OC(C)(C)C)c1.Cc1cc(C)nc(NCc2ccc3cc(CNc4cc(C)cc(C)n4)ccc3c2)c1.

What is the InChIKey of 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine?

The InChIKey is RZLGFUGRNYZLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N4O4.C26H28N4.C12H10Br2.C12H18N2O2/c1-23-15-25(3)37-31(17-23)39(33(41)43-35(5,6)7)21-27-11-13-30-20-28(12-14-29(30)19-27)22-40(34(42)44-36(8,9)10)32-18-24(2)16-26(4)38-32;1-17-9-19(3)29-25(11-17)27-15-21-5-7-24-14-22(6-8-23(24)13-21)16-28-26-12-18(2)10-20(4)30-26;13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9;1-8-6-9(2)13-10(7-8)14-11(15)16-12(3,4)5/h11-20H,21-22H2,1-10H3;5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30);1-6H,7-8H2;6-7H,1-5H3,(H,13,14,15).

What are the key properties of 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine?

2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine has a molecular weight of 1529.62 g/mol, XLogP of 22.51, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(bromomethyl)naphthalene;tert-butyl N-(4,6-dimethyl-2-pyridinyl)carbamate;tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[[6-[[(4,6-dimethyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-2-yl]methyl]carbamate;N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 160772043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).