5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one

C18H25N5O3 — CID 118766397

About 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one

5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one (PubChem CID 118766397) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one
• PubChem CID: 118766397
• Molecular Formula: C18H25N5O3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.20
• IUPAC Name: 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one
• SMILES: COc1c[nH]c(CN(C)CCNc2cc(C3CCOC3)ncn2)cc1=O
• InChI: InChI=1S/C18H25N5O3/c1-23(10-14-7-16(24)17(25-2)9-20-14)5-4-19-18-8-15(21-12-22-18)13-3-6-26-11-13/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,24)(H,19,21,22)
• InChIKey: PRWHKEDTICYTGR-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one?

The IUPAC name of 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one (CID 118766397) is 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one.

What is the SMILES notation for 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one?

The canonical SMILES for 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one is COc1c[nH]c(CN(C)CCNc2cc(C3CCOC3)ncn2)cc1=O.

What is the InChIKey of 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one?

The InChIKey is PRWHKEDTICYTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-23(10-14-7-16(24)17(25-2)9-20-14)5-4-19-18-8-15(21-12-22-18)13-3-6-26-11-13/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,24)(H,19,21,22).

What are the key properties of 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one?

5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one has a molecular weight of 359.43 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-2-[[methyl-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 118766397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).