4-[(E)-but-2-en-2-yl]-6-chloropyrimidine

C8H9ClN2 — CID 121205644

IUPAC4-[(E)-but-2-en-2-yl]-6-chloropyrimidine
SMILESC/C=C(\C)c1cc(Cl)ncn1
InChIInChI=1S/C8H9ClN2/c1-3-6(2)7-4-8(9)11-5-10-7/h3-5H,1-2H3/b6-3+
InChIKeyWUVVRZYRUQFRQR-ZZXKWVIFSA-N
MW168.63 g/mol
LogP2.55
Rot. Bonds1

About 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine

4-[(E)-but-2-en-2-yl]-6-chloropyrimidine (PubChem CID 121205644) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]-6-chloropyrimidine
PubChem CID121205644
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name4-[(E)-but-2-en-2-yl]-6-chloropyrimidine
SMILESC/C=C(\C)c1cc(Cl)ncn1
InChIInChI=1S/C8H9ClN2/c1-3-6(2)7-4-8(9)11-5-10-7/h3-5H,1-2H3/b6-3+
InChIKeyWUVVRZYRUQFRQR-ZZXKWVIFSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-6-phenylpyrimidine
CID 593429
2,4-Dichloro-6-(propan-2-yl)pyrimidine
CID 246012
4-Chloro-6-(propan-2-yl)pyrimidine
CID 22308480
2,4-Dichloro-6-ethylpyrimidine
CID 246010
4-Chloro-6-(1,1-dimethylethyl)pyrimidine
CID 4289243
4-Chloro-6-ethylpyrimidine
CID 11137271
4-Chloro-6-Ethyl-2-Methylpyrimidine
CID 13153403
4-Chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine
CID 13353539
4-Chloro-6-cyclohexylpyrimidine
CID 22308476
2-Amino-4-chloro-6-ethylpyrimidine
CID 22324304
4-Chloro-6-cyclopropylpyrimidine
CID 24902140
4-Butyl-6-chloropyrimidine
CID 33676399

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine?
The IUPAC name of 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine (CID 121205644) is 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine is C/C=C(\C)c1cc(Cl)ncn1.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine?
The InChIKey is WUVVRZYRUQFRQR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-3-6(2)7-4-8(9)11-5-10-7/h3-5H,1-2H3/b6-3+.
What are the key properties of 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine?
4-[(E)-but-2-en-2-yl]-6-chloropyrimidine has a molecular weight of 168.63 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]-6-chloropyrimidine is sourced from PubChem (CID 121205644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).