5-hexa-2,4-dien-3-ylpyrimidine

C10H12N2 — CID 123242398

IUPAC5-hexa-2,4-dien-3-ylpyrimidine
SMILESCC=CC(=CC)c1cncnc1
InChIInChI=1S/C10H12N2/c1-3-5-9(4-2)10-6-11-8-12-7-10/h3-8H,1-2H3
InChIKeyQBOOUNHLJJFNIU-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.46
Rot. Bonds2

About 5-hexa-2,4-dien-3-ylpyrimidine

5-hexa-2,4-dien-3-ylpyrimidine (PubChem CID 123242398) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-hexa-2,4-dien-3-ylpyrimidine.

Molecular Properties

Compound Name5-hexa-2,4-dien-3-ylpyrimidine
PubChem CID123242398
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-hexa-2,4-dien-3-ylpyrimidine
SMILESCC=CC(=CC)c1cncnc1
InChIInChI=1S/C10H12N2/c1-3-5-9(4-2)10-6-11-8-12-7-10/h3-8H,1-2H3
InChIKeyQBOOUNHLJJFNIU-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Ethenylpyrimidine
CID 639849
Simpinicline
CID 11528435
2-[(2E,4E,6E)-7-[2-(dimethylamino)pyrimidin-5-yl]hepta-2,4,6-trienylidene]propanedinitrile
CID 168296445
5-Ethylpyrimidin-2-amine
CID 23131355
2-Chloro-5-(prop-1-en-2-yl)pyrimidine
CID 58485316
5-Ethenyl-1-methylpyrimidin-1-ium
CID 170916524
5-Propa-1,2-dienylpyrimidine
CID 11217247
N,N-dimethyl-5-vinylpyrimidin-2-amine
CID 13640879
5-Ethylpyrimidine
CID 14434921
9H-pyrimido[4,5-b]azepine
CID 45080354
5h-Cyclopenta[d]pyrimidine
CID 45080554
5-(Prop-2-en-1-yl)pyrimidine
CID 54178593

Frequently Asked Questions

What is the IUPAC name of 5-hexa-2,4-dien-3-ylpyrimidine?
The IUPAC name of 5-hexa-2,4-dien-3-ylpyrimidine (CID 123242398) is 5-hexa-2,4-dien-3-ylpyrimidine.
What is the SMILES notation for 5-hexa-2,4-dien-3-ylpyrimidine?
The canonical SMILES for 5-hexa-2,4-dien-3-ylpyrimidine is CC=CC(=CC)c1cncnc1.
What is the InChIKey of 5-hexa-2,4-dien-3-ylpyrimidine?
The InChIKey is QBOOUNHLJJFNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-5-9(4-2)10-6-11-8-12-7-10/h3-8H,1-2H3.
What are the key properties of 5-hexa-2,4-dien-3-ylpyrimidine?
5-hexa-2,4-dien-3-ylpyrimidine has a molecular weight of 160.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexa-2,4-dien-3-ylpyrimidine is sourced from PubChem (CID 123242398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).