4-[(E)-but-1-enyl]-2-ethylpyrimidine

C10H14N2 — CID 59117217

IUPAC4-[(E)-but-1-enyl]-2-ethylpyrimidine
SMILESCC/C=C/c1ccnc(CC)n1
InChIInChI=1S/C10H14N2/c1-3-5-6-9-7-8-11-10(4-2)12-9/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeyVUQSFLFDFAKXFE-AATRIKPKSA-N
MW162.24 g/mol
LogP2.46
Rot. Bonds3

About 4-[(E)-but-1-enyl]-2-ethylpyrimidine

4-[(E)-but-1-enyl]-2-ethylpyrimidine (PubChem CID 59117217) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]-2-ethylpyrimidine.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]-2-ethylpyrimidine
PubChem CID59117217
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-[(E)-but-1-enyl]-2-ethylpyrimidine
SMILESCC/C=C/c1ccnc(CC)n1
InChIInChI=1S/C10H14N2/c1-3-5-6-9-7-8-11-10(4-2)12-9/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeyVUQSFLFDFAKXFE-AATRIKPKSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-2-ethylpyrimidine
CID 67765134
(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine
CID 136952913
4-[(E)-3-bromoprop-1-enyl]-2-methylpyrimidine
CID 115530171
3-but-1-enyl-1,2-oxazole
CID 174758223
6-[(E)-but-1-enyl]pyridine-3-carbonitrile
CID 154695168
N-(2-ethylpyrimidin-4-yl)acetamide
CID 67743476
ethane;2-ethyl-4-propan-2-ylpyrimidine
CID 154681512
6-[(E)-but-1-enyl]-4-methylquinoline
CID 176872163
4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide
CID 157450822
2-chloro-4-[(E)-3-methoxyprop-1-enyl]pyrimidine
CID 58456371
4-(2-ethylpyrimidin-4-yl)benzaldehyde
CID 105465944
N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine
CID 67812536

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-1-enyl]-2-ethylpyrimidine?
The IUPAC name of 4-[(E)-but-1-enyl]-2-ethylpyrimidine (CID 59117217) is 4-[(E)-but-1-enyl]-2-ethylpyrimidine.
What is the SMILES notation for 4-[(E)-but-1-enyl]-2-ethylpyrimidine?
The canonical SMILES for 4-[(E)-but-1-enyl]-2-ethylpyrimidine is CC/C=C/c1ccnc(CC)n1.
What is the InChIKey of 4-[(E)-but-1-enyl]-2-ethylpyrimidine?
The InChIKey is VUQSFLFDFAKXFE-AATRIKPKSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-5-6-9-7-8-11-10(4-2)12-9/h5-8H,3-4H2,1-2H3/b6-5+.
What are the key properties of 4-[(E)-but-1-enyl]-2-ethylpyrimidine?
4-[(E)-but-1-enyl]-2-ethylpyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-1-enyl]-2-ethylpyrimidine is sourced from PubChem (CID 59117217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).