N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine

C₁₁H₁₉N₅ — CID 83838471

About N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine

N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 83838471) has the molecular formula C₁₁H₁₉N₅ and a molecular weight of 221.31 g/mol. Its IUPAC name is N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

• Compound Name: N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
• PubChem CID: 83838471
• Molecular Formula: C₁₁H₁₉N₅
• Molecular Weight: 221.31 g/mol
• Exact Mass: 221.16
• IUPAC Name: N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
• SMILES: CN1CCc2c(ncnc2NCCCN)C1
• InChI: InChI=1S/C11H19N5/c1-16-6-3-9-10(7-16)14-8-15-11(9)13-5-2-4-12/h8H,2-7,12H2,1H3,(H,13,14,15)
• InChIKey: ULVRRQVGVHKCBO-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 67.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.31
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?

The IUPAC name of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine (CID 83838471) is N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine.

What is the SMILES notation for N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?

The canonical SMILES for N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine is CN1CCc2c(ncnc2NCCCN)C1.

What is the InChIKey of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?

The InChIKey is ULVRRQVGVHKCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-16-6-3-9-10(7-16)14-8-15-11(9)13-5-2-4-12/h8H,2-7,12H2,1H3,(H,13,14,15).

What are the key properties of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?

N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 83838471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83838471 — identifiers, structure, computed properties (public domain)

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