2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine

C18H22N4O — CID 167917212

About 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine

2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 167917212) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine
• PubChem CID: 167917212
• Molecular Formula: C18H22N4O
• Molecular Weight: 310.40 g/mol
• Exact Mass: 310.18
• IUPAC Name: 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine
• SMILES: Cc1nc(NCC23CCC(C)(CO2)C3)cc(-c2ccccn2)n1
• InChI: InChI=1S/C18H22N4O/c1-13-21-15(14-5-3-4-8-19-14)9-16(22-13)20-11-18-7-6-17(2,10-18)12-23-18/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,20,21,22)
• InChIKey: NHNHURWWDRJYGC-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.40
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine?

The IUPAC name of 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine (CID 167917212) is 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine.

What is the SMILES notation for 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine?

The canonical SMILES for 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine is Cc1nc(NCC23CCC(C)(CO2)C3)cc(-c2ccccn2)n1.

What is the InChIKey of 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine?

The InChIKey is NHNHURWWDRJYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-21-15(14-5-3-4-8-19-14)9-16(22-13)20-11-18-7-6-17(2,10-18)12-23-18/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,20,21,22).

What are the key properties of 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine?

2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 167917212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).