6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide

C₁₄H₁₂Cl₂N₄O — CID 109339792

About 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide

6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109339792) has the molecular formula C₁₄H₁₂Cl₂N₄O and a molecular weight of 323.18 g/mol. Its IUPAC name is 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
• PubChem CID: 109339792
• Molecular Formula: C₁₄H₁₂Cl₂N₄O
• Molecular Weight: 323.18 g/mol
• Exact Mass: 322.04
• IUPAC Name: 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
• SMILES: C=CCNC(=O)c1cc(Nc2c(Cl)cccc2Cl)ncn1
• InChI: InChI=1S/C14H12Cl2N4O/c1-2-6-17-14(21)11-7-12(19-8-18-11)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,17,21)(H,18,19,20)
• InChIKey: LVOIBFMPFCVNOW-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.18
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide?

The IUPAC name of 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109339792) is 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide.

What is the SMILES notation for 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide?

The canonical SMILES for 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2c(Cl)cccc2Cl)ncn1.

What is the InChIKey of 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide?

The InChIKey is LVOIBFMPFCVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-2-6-17-14(21)11-7-12(19-8-18-11)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,17,21)(H,18,19,20).

What are the key properties of 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide?

6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109339792 — identifiers, structure, computed properties (public domain)

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