2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene

C23H40N2 — CID 145287244

IUPAC2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene
SMILESC=C1NC(C)=NC(/C=C\C)=C1C.C=CC(C(=C)C)=C(C)C.CC.CC
InChIInChI=1S/C10H14N2.C9H14.2C2H6/c1-5-6-10-7(2)8(3)11-9(4)12-10;1-6-9(7(2)3)8(4)5;2*1-2/h5-6H,3H2,1-2,4H3,(H,11,12);6H,1-2H2,3-5H3;2*1-2H3/b6-5-;;;
InChIKeyYCDWCKMOPVCGSX-WTUPQPTJSA-N
MW344.59 g/mol
LogP7.51
Rot. Bonds3

About 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene

2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene (PubChem CID 145287244) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene.

Molecular Properties

Compound Name2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene
PubChem CID145287244
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene
SMILESC=C1NC(C)=NC(/C=C\C)=C1C.C=CC(C(=C)C)=C(C)C.CC.CC
InChIInChI=1S/C10H14N2.C9H14.2C2H6/c1-5-6-10-7(2)8(3)11-9(4)12-10;1-6-9(7(2)3)8(4)5;2*1-2/h5-6H,3H2,1-2,4H3,(H,11,12);6H,1-2H2,3-5H3;2*1-2H3/b6-5-;;;
InChIKeyYCDWCKMOPVCGSX-WTUPQPTJSA-N
XLogP7.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2E,4E)-5-cyano-3-fluoropenta-2,4-dien-2-yl]-N-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]ethanimidamide
CID 134187538
N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide
CID 139418781
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylidenepyridin-2-amine
CID 156033214
N'-[(3Z)-2,4-difluorohexa-1,3,5-trien-3-yl]-N-[(3E)-2-methylpenta-1,3-dien-3-yl]ethanimidamide
CID 144199924
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-5-methylidenepyridin-2-amine
CID 155584311
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 90949376
4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
CID 123186985
(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 129169649
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N-[(1E)-1-cyclopenta-1,3-dien-1-yl-2-methylbuta-1,3-dienyl]-N'-methylethanimidamide
CID 132127354

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene?
The IUPAC name of 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene (CID 145287244) is 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene.
What is the SMILES notation for 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene?
The canonical SMILES for 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene is C=C1NC(C)=NC(/C=C\C)=C1C.C=CC(C(=C)C)=C(C)C.CC.CC.
What is the InChIKey of 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene?
The InChIKey is YCDWCKMOPVCGSX-WTUPQPTJSA-N. The full InChI is InChI=1S/C10H14N2.C9H14.2C2H6/c1-5-6-10-7(2)8(3)11-9(4)12-10;1-6-9(7(2)3)8(4)5;2*1-2/h5-6H,3H2,1-2,4H3,(H,11,12);6H,1-2H2,3-5H3;2*1-2H3/b6-5-;;;.
What are the key properties of 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene?
2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene has a molecular weight of 344.59 g/mol, XLogP of 7.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene is sourced from PubChem (CID 145287244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).