4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine

C12H18N2 — CID 123186985

IUPAC4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
SMILESCC=C/C=C\C1=CC(CC)N=C(C)N1
InChIInChI=1S/C12H18N2/c1-4-6-7-8-12-9-11(5-2)13-10(3)14-12/h4,6-9,11H,5H2,1-3H3,(H,13,14)/b6-4?,8-7-
InChIKeyHEMUHLOBZVUEEL-BSHKIBQKSA-N
MW190.29 g/mol
LogP2.80
Rot. Bonds3

About 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine

4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine (PubChem CID 123186985) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
PubChem CID123186985
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
SMILESCC=C/C=C\C1=CC(CC)N=C(C)N1
InChIInChI=1S/C12H18N2/c1-4-6-7-8-12-9-11(5-2)13-10(3)14-12/h4,6-9,11H,5H2,1-3H3,(H,13,14)/b6-4?,8-7-
InChIKeyHEMUHLOBZVUEEL-BSHKIBQKSA-N
XLogP2.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.80
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

2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
(5E)-2-methyl-5-pent-4-enylidene-1,4-dihydroimidazole
CID 68273978
2,4,6-Trimethyl-1,4-dihydropyrimidine
CID 68611629
N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide
CID 70875519
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
CID 91616301
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
8-Methyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraene
CID 123430510
6-Buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 123490451
2,4-Dimethyl-5-methylidene-1,4-dihydro-1,3-diazepine-7-carbonitrile
CID 123536555
2,6-Dimethyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123595612

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine?
The IUPAC name of 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine (CID 123186985) is 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine.
What is the SMILES notation for 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine?
The canonical SMILES for 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine is CC=C/C=C\C1=CC(CC)N=C(C)N1.
What is the InChIKey of 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine?
The InChIKey is HEMUHLOBZVUEEL-BSHKIBQKSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-6-7-8-12-9-11(5-2)13-10(3)14-12/h4,6-9,11H,5H2,1-3H3,(H,13,14)/b6-4?,8-7-.
What are the key properties of 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine?
4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine has a molecular weight of 190.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine is sourced from PubChem (CID 123186985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).