2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one

C28H32N4O2 — CID 146513122

About 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one

2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 146513122) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
• PubChem CID: 146513122
• Molecular Formula: C28H32N4O2
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.25
• IUPAC Name: 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
• SMILES: Cc1cc(O)cc(C)c1CC(CNc1nc(Cc2ccc3ccccc3c2)cc(=O)[nH]1)N(C)C
• InChI: InChI=1S/C28H32N4O2/c1-18-11-25(33)12-19(2)26(18)16-24(32(3)4)17-29-28-30-23(15-27(34)31-28)14-20-9-10-21-7-5-6-8-22(21)13-20/h5-13,15,24,33H,14,16-17H2,1-4H3,(H2,29,30,31,34)
• InChIKey: SBOPDUVXNUPDBJ-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 81.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?

The IUPAC name of 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one (CID 146513122) is 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?

The canonical SMILES for 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one is Cc1cc(O)cc(C)c1CC(CNc1nc(Cc2ccc3ccccc3c2)cc(=O)[nH]1)N(C)C.

What is the InChIKey of 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?

The InChIKey is SBOPDUVXNUPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-18-11-25(33)12-19(2)26(18)16-24(32(3)4)17-29-28-30-23(15-27(34)31-28)14-20-9-10-21-7-5-6-8-22(21)13-20/h5-13,15,24,33H,14,16-17H2,1-4H3,(H2,29,30,31,34).

What are the key properties of 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?

2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 456.59 g/mol, XLogP of 4.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 146513122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).