5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine

C9H10N2 — CID 162406515

IUPAC5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine
SMILESC=C/C=C\c1cnc(C)nc1
InChIInChI=1S/C9H10N2/c1-3-4-5-9-6-10-8(2)11-7-9/h3-7H,1H2,2H3/b5-4-
InChIKeyCAUORYAYKBCNLS-PLNGDYQASA-N
MW146.19 g/mol
LogP1.98
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine

5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine (PubChem CID 162406515) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine
PubChem CID162406515
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine
SMILESC=C/C=C\c1cnc(C)nc1
InChIInChI=1S/C9H10N2/c1-3-4-5-9-6-10-8(2)11-7-9/h3-7H,1H2,2H3/b5-4-
InChIKeyCAUORYAYKBCNLS-PLNGDYQASA-N
XLogP1.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine (CID 162406515) is 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine is C=C/C=C\c1cnc(C)nc1.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine?
The InChIKey is CAUORYAYKBCNLS-PLNGDYQASA-N. The full InChI is InChI=1S/C9H10N2/c1-3-4-5-9-6-10-8(2)11-7-9/h3-7H,1H2,2H3/b5-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine?
5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine has a molecular weight of 146.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-2-methylpyrimidine is sourced from PubChem (CID 162406515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).