2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane

C47H64BrN9O6 — CID 160906327

About 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane

2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane (PubChem CID 160906327) has the molecular formula C47H64BrN9O6 and a molecular weight of 930.99 g/mol. Its IUPAC name is 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane.

Molecular Properties

• Compound Name: 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane
• PubChem CID: 160906327
• Molecular Formula: C47H64BrN9O6
• Molecular Weight: 930.99 g/mol
• Exact Mass: 929.42
• IUPAC Name: 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane
• SMILES: C.C.Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(OCCO)CC1.Cc1nc(N)nc2c1cc(Cc1ccccc1)c(=O)n2C1CCC(OCCO)CC1.Nc1ccccc1
• InChI: InChI=1S/C23H28N4O3.C16H21BrN4O3.C6H7N.2CH4/c1-15-20-14-17(13-16-5-3-2-4-6-16)22(29)27(21(20)26-23(24)25-15)18-7-9-19(10-8-18)30-12-11-28;1-9-12-8-13(17)15(23)21(14(12)20-16(18)19-9)10-2-4-11(5-3-10)24-7-6-22;7-6-4-2-1-3-5-6;;/h2-6,14,18-19,28H,7-13H2,1H3,(H2,24,25,26);8,10-11,22H,2-7H2,1H3,(H2,18,19,20);1-5H,7H2;2*1H4
• InChIKey: SQEOEABBVIQYOG-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 232.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	930.99
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane?

The IUPAC name of 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane (CID 160906327) is 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane.

What is the SMILES notation for 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane?

The canonical SMILES for 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane is C.C.Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(OCCO)CC1.Cc1nc(N)nc2c1cc(Cc1ccccc1)c(=O)n2C1CCC(OCCO)CC1.Nc1ccccc1.

What is the InChIKey of 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane?

The InChIKey is SQEOEABBVIQYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3.C16H21BrN4O3.C6H7N.2CH4/c1-15-20-14-17(13-16-5-3-2-4-6-16)22(29)27(21(20)26-23(24)25-15)18-7-9-19(10-8-18)30-12-11-28;1-9-12-8-13(17)15(23)21(14(12)20-16(18)19-9)10-2-4-11(5-3-10)24-7-6-22;7-6-4-2-1-3-5-6;;/h2-6,14,18-19,28H,7-13H2,1H3,(H2,24,25,26);8,10-11,22H,2-7H2,1H3,(H2,18,19,20);1-5H,7H2;2*1H4.

What are the key properties of 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane?

2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane has a molecular weight of 930.99 g/mol, XLogP of 7.24, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane is sourced from PubChem (CID 160906327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).