4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine

C12H16N2 — CID 156842568

IUPAC4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine
SMILESCc1ncc(C)c(C2C=CCCC2)n1
InChIInChI=1S/C12H16N2/c1-9-8-13-10(2)14-12(9)11-6-4-3-5-7-11/h4,6,8,11H,3,5,7H2,1-2H3
InChIKeyKKFTZOPUFRXVBZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.92
Rot. Bonds1

About 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine

4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine (PubChem CID 156842568) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine
PubChem CID156842568
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine
SMILESCc1ncc(C)c(C2C=CCCC2)n1
InChIInChI=1S/C12H16N2/c1-9-8-13-10(2)14-12(9)11-6-4-3-5-7-11/h4,6,8,11H,3,5,7H2,1-2H3
InChIKeyKKFTZOPUFRXVBZ-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(1R)-cyclohex-2-en-1-yl]-2-methylpyridine
CID 94035148
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine
CID 46868231
2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine
CID 94035152
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
4-cyclohex-2-en-1-ylpyridine
CID 12718499
(4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol
CID 114215293
3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one
CID 135873142
4-cyclohex-2-en-1-ylaniline
CID 3026820
4-cyclohex-2-en-1-ylphenol
CID 13414842
(2,5-dimethylpyrimidin-4-yl)methanol
CID 58143239
4-cyclobutyloxy-5-methylpyrimidin-2-amine
CID 80873387

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine?
The IUPAC name of 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine (CID 156842568) is 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine?
The canonical SMILES for 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine is Cc1ncc(C)c(C2C=CCCC2)n1.
What is the InChIKey of 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine?
The InChIKey is KKFTZOPUFRXVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-8-13-10(2)14-12(9)11-6-4-3-5-7-11/h4,6,8,11H,3,5,7H2,1-2H3.
What are the key properties of 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine?
4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine is sourced from PubChem (CID 156842568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).