5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine

C₁₄H₂₃ClN₂O — CID 146377305

About 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine

5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine (PubChem CID 146377305) has the molecular formula C₁₄H₂₃ClN₂O and a molecular weight of 270.80 g/mol. Its IUPAC name is 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine.

Molecular Properties

• Compound Name: 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine
• PubChem CID: 146377305
• Molecular Formula: C₁₄H₂₃ClN₂O
• Molecular Weight: 270.80 g/mol
• Exact Mass: 270.15
• IUPAC Name: 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine
• SMILES: CCCCCC(C)(CC)c1ncnc(OC)c1Cl
• InChI: InChI=1S/C14H23ClN2O/c1-5-7-8-9-14(3,6-2)12-11(15)13(18-4)17-10-16-12/h10H,5-9H2,1-4H3
• InChIKey: RRKWEBSBKLNRMH-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.80
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine?

The IUPAC name of 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine (CID 146377305) is 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine.

What is the SMILES notation for 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine?

The canonical SMILES for 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine is CCCCCC(C)(CC)c1ncnc(OC)c1Cl.

What is the InChIKey of 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine?

The InChIKey is RRKWEBSBKLNRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-5-7-8-9-14(3,6-2)12-11(15)13(18-4)17-10-16-12/h10H,5-9H2,1-4H3.

What are the key properties of 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine?

5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine has a molecular weight of 270.80 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine is sourced from PubChem (CID 146377305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146377305 — identifiers, structure, computed properties (public domain)

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