5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine

C11H14N2 — CID 155204676

IUPAC5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine
SMILESC=C(/C=C\c1ncncc1C)CC
InChIInChI=1S/C11H14N2/c1-4-9(2)5-6-11-10(3)7-12-8-13-11/h5-8H,2,4H2,1,3H3/b6-5-
InChIKeyPEOKHXIGWCASON-WAYWQWQTSA-N
MW174.25 g/mol
LogP2.76
Rot. Bonds3

About 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine

5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine (PubChem CID 155204676) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine
PubChem CID155204676
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine
SMILESC=C(/C=C\c1ncncc1C)CC
InChIInChI=1S/C11H14N2/c1-4-9(2)5-6-11-10(3)7-12-8-13-11/h5-8H,2,4H2,1,3H3/b6-5-
InChIKeyPEOKHXIGWCASON-WAYWQWQTSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.76
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

4-methyl-3-[(Z)-3-methylidenepent-1-enyl]pyridine
CID 145372695
4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine
CID 156844926
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
N-(5-methylpyrimidin-4-yl)propanehydrazide
CID 71775648
N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine
CID 129029658
4-(disulfanyl)-5-methylpyrimidine
CID 134420830
1-(5-methylpyrimidin-4-yl)ethanol
CID 170901013
(E)-3-(4-ethylpyrimidin-5-yl)prop-2-enoic acid
CID 59484626
5-methyl-4-(trisulfanyl)pyrimidine
CID 135296184
N-(5-methylpyrimidin-4-yl)ethanimine
CID 89493082
5-methyl-4-propan-2-yloxypyrimidine
CID 54127636
ethane;1-methyl-3-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrazole
CID 145394721

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine?
The IUPAC name of 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine (CID 155204676) is 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine.
What is the SMILES notation for 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine?
The canonical SMILES for 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine is C=C(/C=C\c1ncncc1C)CC.
What is the InChIKey of 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine?
The InChIKey is PEOKHXIGWCASON-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-9(2)5-6-11-10(3)7-12-8-13-11/h5-8H,2,4H2,1,3H3/b6-5-.
What are the key properties of 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine?
5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine has a molecular weight of 174.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine is sourced from PubChem (CID 155204676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).