6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H14IN5O2 — CID 135862423

About 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862423) has the molecular formula C16H14IN5O2 and a molecular weight of 435.23 g/mol. Its IUPAC name is 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135862423
• Molecular Formula: C16H14IN5O2
• Molecular Weight: 435.23 g/mol
• Exact Mass: 435.02
• IUPAC Name: 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1ccc(I)o1)CC2
• InChI: InChI=1S/C16H14IN5O2/c17-14-2-1-11(24-14)7-22-4-3-13-12(8-22)16(23)21-15(20-13)10-5-18-9-19-6-10/h1-2,5-6,9H,3-4,7-8H2,(H,20,21,23)
• InChIKey: RXPZUXWOVRIQLP-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.23
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862423) is 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1ccc(I)o1)CC2.

What is the InChIKey of 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is RXPZUXWOVRIQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN5O2/c17-14-2-1-11(24-14)7-22-4-3-13-12(8-22)16(23)21-15(20-13)10-5-18-9-19-6-10/h1-2,5-6,9H,3-4,7-8H2,(H,20,21,23).

What are the key properties of 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 435.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).