1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane

C14H26N2 — CID 143195742

IUPAC1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane
SMILESC=C/C=C\N1CCCN=C1C=C.CC.CC
InChIInChI=1S/C10H14N2.2C2H6/c1-3-5-8-12-9-6-7-11-10(12)4-2;2*1-2/h3-5,8H,1-2,6-7,9H2;2*1-2H3/b8-5-;;
InChIKeyITZVIRCHLACFMP-XTKZWJJBSA-N
MW222.38 g/mol
LogP4.03
Rot. Bonds3

About 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane

1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane (PubChem CID 143195742) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane
PubChem CID143195742
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane
SMILESC=C/C=C\N1CCCN=C1C=C.CC.CC
InChIInChI=1S/C10H14N2.2C2H6/c1-3-5-8-12-9-6-7-11-10(12)4-2;2*1-2/h3-5,8H,1-2,6-7,9H2;2*1-2H3/b8-5-;;
InChIKeyITZVIRCHLACFMP-XTKZWJJBSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.03
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

2-ethenyl-1-methyl-4,5-dihydroimidazole
CID 22756041
4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-methylidene-3H-1,4-thiazine;ethane
CID 142198473
1-buta-1,3-dienylpyrrolidin-2-one;thiophene
CID 175032170
1-[(1Z)-buta-1,3-dienyl]-2-ethenylimidazole;ethane
CID 143945087
(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;1-methylazepane
CID 143599664
3-[(1Z)-buta-1,3-dienyl]-2-methyl-4H-thieno[2,3-d]pyrimidine
CID 166658685
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
CID 172820210
1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine
CID 118476491
1-methyl-5,6-dihydro-4H-pyrimidin-2-olate
CID 88533494
2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole
CID 134478719
2-methyl-5,6-dihydro-4H-pyrimidin-1-amine
CID 142204479

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane (CID 143195742) is 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane is C=C/C=C\N1CCCN=C1C=C.CC.CC.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane?
The InChIKey is ITZVIRCHLACFMP-XTKZWJJBSA-N. The full InChI is InChI=1S/C10H14N2.2C2H6/c1-3-5-8-12-9-6-7-11-10(12)4-2;2*1-2/h3-5,8H,1-2,6-7,9H2;2*1-2H3/b8-5-;;.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane?
1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane has a molecular weight of 222.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5,6-dihydro-4H-pyrimidine;ethane is sourced from PubChem (CID 143195742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).