2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one

C25H27N5O2 — CID 146512789

About 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one

2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 146512789) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
• PubChem CID: 146512789
• Molecular Formula: C25H27N5O2
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.22
• IUPAC Name: 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
• SMILES: CN(C)[C@@H](CNc1nc(Cc2ccc3ccccc3c2)cc(=O)[nH]1)Cc1cc[nH]c(=O)c1
• InChI: InChI=1S/C25H27N5O2/c1-30(2)22(13-18-9-10-26-23(31)14-18)16-27-25-28-21(15-24(32)29-25)12-17-7-8-19-5-3-4-6-20(19)11-17/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,26,31)(H2,27,28,29,32)/t22-/m1/s1
• InChIKey: PTFHWMABCYYJBY-JOCHJYFZSA-N
• XLogP: 2.79
• TPSA: 93.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?

The IUPAC name of 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one (CID 146512789) is 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?

The canonical SMILES for 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one is CN(C)[C@@H](CNc1nc(Cc2ccc3ccccc3c2)cc(=O)[nH]1)Cc1cc[nH]c(=O)c1.

What is the InChIKey of 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?

The InChIKey is PTFHWMABCYYJBY-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-30(2)22(13-18-9-10-26-23(31)14-18)16-27-25-28-21(15-24(32)29-25)12-17-7-8-19-5-3-4-6-20(19)11-17/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,26,31)(H2,27,28,29,32)/t22-/m1/s1.

What are the key properties of 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?

2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 429.52 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 146512789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).