N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine

C16H20N6 — CID 126918682

About N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine (PubChem CID 126918682) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
• PubChem CID: 126918682
• Molecular Formula: C16H20N6
• Molecular Weight: 296.38 g/mol
• Exact Mass: 296.17
• IUPAC Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
• SMILES: Cc1cnc(NCC2CN(c3cc4c(nn3)CCC4)C2)nc1
• InChI: InChI=1S/C16H20N6/c1-11-6-17-16(18-7-11)19-8-12-9-22(10-12)15-5-13-3-2-4-14(13)20-21-15/h5-7,12H,2-4,8-10H2,1H3,(H,17,18,19)
• InChIKey: BCHLZYPJEYEXAK-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 66.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.38
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine?

The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine (CID 126918682) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine.

What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine?

The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine is Cc1cnc(NCC2CN(c3cc4c(nn3)CCC4)C2)nc1.

What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine?

The InChIKey is BCHLZYPJEYEXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-11-6-17-16(18-7-11)19-8-12-9-22(10-12)15-5-13-3-2-4-14(13)20-21-15/h5-7,12H,2-4,8-10H2,1H3,(H,17,18,19).

What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine?

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine has a molecular weight of 296.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 126918682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).