4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine

C7H7BrN2 — CID 87497887

IUPAC4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine
SMILESC/C(=C\Br)c1ccncn1
InChIInChI=1S/C7H7BrN2/c1-6(4-8)7-2-3-9-5-10-7/h2-5H,1H3/b6-4+
InChIKeyZEJIOLFBSYYTSF-GQCTYLIASA-N
MW199.05 g/mol
LogP2.23
Rot. Bonds1

About 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine

4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine (PubChem CID 87497887) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine
PubChem CID87497887
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine
SMILESC/C(=C\Br)c1ccncn1
InChIInChI=1S/C7H7BrN2/c1-6(4-8)7-2-3-9-5-10-7/h2-5H,1H3/b6-4+
InChIKeyZEJIOLFBSYYTSF-GQCTYLIASA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine?
The IUPAC name of 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine (CID 87497887) is 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine.
What is the SMILES notation for 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine?
The canonical SMILES for 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine is C/C(=C\Br)c1ccncn1.
What is the InChIKey of 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine?
The InChIKey is ZEJIOLFBSYYTSF-GQCTYLIASA-N. The full InChI is InChI=1S/C7H7BrN2/c1-6(4-8)7-2-3-9-5-10-7/h2-5H,1H3/b6-4+.
What are the key properties of 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine?
4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine has a molecular weight of 199.05 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-bromoprop-1-en-2-yl]pyrimidine is sourced from PubChem (CID 87497887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).