[2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone

C19H18Br2N4O2 — CID 151325817

About [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone

[2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone (PubChem CID 151325817) has the molecular formula C19H18Br2N4O2 and a molecular weight of 494.19 g/mol. Its IUPAC name is [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone.

Molecular Properties

• Compound Name: [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
• PubChem CID: 151325817
• Molecular Formula: C19H18Br2N4O2
• Molecular Weight: 494.19 g/mol
• Exact Mass: 491.98
• IUPAC Name: [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
• SMILES: O=C(c1cnc(NC2Cc3cc(Br)c(Br)cc3C2)nc1)N1CCC12COC2
• InChI: InChI=1S/C19H18Br2N4O2/c20-15-5-11-3-14(4-12(11)6-16(15)21)24-18-22-7-13(8-23-18)17(26)25-2-1-19(25)9-27-10-19/h5-8,14H,1-4,9-10H2,(H,22,23,24)
• InChIKey: OHKGRZJIBUEKAS-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.19
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone?

The IUPAC name of [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone (CID 151325817) is [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone.

What is the SMILES notation for [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone?

The canonical SMILES for [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone is O=C(c1cnc(NC2Cc3cc(Br)c(Br)cc3C2)nc1)N1CCC12COC2.

What is the InChIKey of [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone?

The InChIKey is OHKGRZJIBUEKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Br2N4O2/c20-15-5-11-3-14(4-12(11)6-16(15)21)24-18-22-7-13(8-23-18)17(26)25-2-1-19(25)9-27-10-19/h5-8,14H,1-4,9-10H2,(H,22,23,24).

What are the key properties of [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone?

[2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone has a molecular weight of 494.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone is sourced from PubChem (CID 151325817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).