N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine

C₁₀H₁₅N₃ — CID 171383843

About N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine

N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine (PubChem CID 171383843) has the molecular formula C₁₀H₁₅N₃ and a molecular weight of 177.25 g/mol. Its IUPAC name is N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine
• PubChem CID: 171383843
• Molecular Formula: C₁₀H₁₅N₃
• Molecular Weight: 177.25 g/mol
• Exact Mass: 177.13
• IUPAC Name: N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine
• SMILES: C=CCc1c(C)nc(NC)nc1C
• InChI: InChI=1S/C10H15N3/c1-5-6-9-7(2)12-10(11-4)13-8(9)3/h5H,1,6H2,2-4H3,(H,11,12,13)
• InChIKey: BUMDERKPYCRYBH-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	177.25
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine?

The IUPAC name of N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine (CID 171383843) is N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine.

What is the SMILES notation for N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine?

The canonical SMILES for N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine is C=CCc1c(C)nc(NC)nc1C.

What is the InChIKey of N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine?

The InChIKey is BUMDERKPYCRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-6-9-7(2)12-10(11-4)13-8(9)3/h5H,1,6H2,2-4H3,(H,11,12,13).

What are the key properties of N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine?

N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,4,6-trimethyl-5-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 171383843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171383843 — identifiers, structure, computed properties (public domain)

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