5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine

C11H14N2 — CID 143514991

IUPAC5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine
SMILESCC(C)=C/C=C(\C)c1cncnc1
InChIInChI=1S/C11H14N2/c1-9(2)4-5-10(3)11-6-12-8-13-7-11/h4-8H,1-3H3/b10-5+
InChIKeyQVWJIWIEMKORFQ-BJMVGYQFSA-N
MW174.25 g/mol
LogP2.85
Rot. Bonds2

About 5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine

5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine (PubChem CID 143514991) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine.

Molecular Properties

Compound Name5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine
PubChem CID143514991
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine
SMILESCC(C)=C/C=C(\C)c1cncnc1
InChIInChI=1S/C11H14N2/c1-9(2)4-5-10(3)11-6-12-8-13-7-11/h4-8H,1-3H3/b10-5+
InChIKeyQVWJIWIEMKORFQ-BJMVGYQFSA-N
XLogP2.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.85
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-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine?
The IUPAC name of 5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine (CID 143514991) is 5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine.
What is the SMILES notation for 5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine?
The canonical SMILES for 5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine is CC(C)=C/C=C(\C)c1cncnc1.
What is the InChIKey of 5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine?
The InChIKey is QVWJIWIEMKORFQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H14N2/c1-9(2)4-5-10(3)11-6-12-8-13-7-11/h4-8H,1-3H3/b10-5+.
What are the key properties of 5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine?
5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine has a molecular weight of 174.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-5-methylhexa-2,4-dien-2-yl]pyrimidine is sourced from PubChem (CID 143514991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).