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

C15H16IN3O2 — CID 135862424

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

2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862424) has the molecular formula C15H16IN3O2 and a molecular weight of 397.22 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135862424
• Molecular Formula: C15H16IN3O2
• Molecular Weight: 397.22 g/mol
• Exact Mass: 397.03
• IUPAC Name: 2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc(I)o1)CC2
• InChI: InChI=1S/C15H16IN3O2/c16-13-4-3-10(21-13)7-19-6-5-12-11(8-19)15(20)18-14(17-12)9-1-2-9/h3-4,9H,1-2,5-8H2,(H,17,18,20)
• InChIKey: RDXINPVCYCQORQ-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.22
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862424) is 2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc(I)o1)CC2.

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

The InChIKey is RDXINPVCYCQORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O2/c16-13-4-3-10(21-13)7-19-6-5-12-11(8-19)15(20)18-14(17-12)9-1-2-9/h3-4,9H,1-2,5-8H2,(H,17,18,20).

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

2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 397.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).