8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C22H24ClN7O — CID 118055020

About 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118055020) has the molecular formula C22H24ClN7O and a molecular weight of 437.94 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 118055020
• Molecular Formula: C22H24ClN7O
• Molecular Weight: 437.94 g/mol
• Exact Mass: 437.17
• IUPAC Name: 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: Cc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3Cl)CCO4)CC2)ncn1
• InChI: InChI=1S/C22H24ClN7O/c1-15-12-20(26-14-25-15)29-8-6-16(7-9-29)27-22-24-13-19-21(28-22)30(10-11-31-19)18-5-3-2-4-17(18)23/h2-5,12-14,16H,6-11H2,1H3,(H,24,27,28)
• InChIKey: KGLLBCZETQVYGC-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 79.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.94
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The IUPAC name of 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118055020) is 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

What is the SMILES notation for 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The canonical SMILES for 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is Cc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3Cl)CCO4)CC2)ncn1.

What is the InChIKey of 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The InChIKey is KGLLBCZETQVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O/c1-15-12-20(26-14-25-15)29-8-6-16(7-9-29)27-22-24-13-19-21(28-22)30(10-11-31-19)18-5-3-2-4-17(18)23/h2-5,12-14,16H,6-11H2,1H3,(H,24,27,28).

What are the key properties of 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 437.94 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118055020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).