6-bromo-N-but-3-enylpyrimidin-4-amine

C8H10BrN3 — CID 106196154

IUPAC6-bromo-N-but-3-enylpyrimidin-4-amine
SMILESC=CCCNc1cc(Br)ncn1
InChIInChI=1S/C8H10BrN3/c1-2-3-4-10-8-5-7(9)11-6-12-8/h2,5-6H,1,3-4H2,(H,10,11,12)
InChIKeyIIHCDAUHKAZUFH-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.23
Rot. Bonds4

About 6-bromo-N-but-3-enylpyrimidin-4-amine

6-bromo-N-but-3-enylpyrimidin-4-amine (PubChem CID 106196154) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 6-bromo-N-but-3-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-but-3-enylpyrimidin-4-amine
PubChem CID106196154
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name6-bromo-N-but-3-enylpyrimidin-4-amine
SMILESC=CCCNc1cc(Br)ncn1
InChIInChI=1S/C8H10BrN3/c1-2-3-4-10-8-5-7(9)11-6-12-8/h2,5-6H,1,3-4H2,(H,10,11,12)
InChIKeyIIHCDAUHKAZUFH-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(2-prop-2-enylsulfanylethyl)pyrimidin-4-amine
CID 106431829
N-but-3-enyl-6-chloropyrimidin-4-amine
CID 106196174
6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine
CID 131054209
6-bromo-N-but-2-ynylpyrimidin-4-amine
CID 106195780
6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195023
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137378
6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
CID 106195358
6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897335
6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 107164897

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-but-3-enylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-but-3-enylpyrimidin-4-amine (CID 106196154) is 6-bromo-N-but-3-enylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-but-3-enylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-but-3-enylpyrimidin-4-amine is C=CCCNc1cc(Br)ncn1.
What is the InChIKey of 6-bromo-N-but-3-enylpyrimidin-4-amine?
The InChIKey is IIHCDAUHKAZUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-2-3-4-10-8-5-7(9)11-6-12-8/h2,5-6H,1,3-4H2,(H,10,11,12).
What are the key properties of 6-bromo-N-but-3-enylpyrimidin-4-amine?
6-bromo-N-but-3-enylpyrimidin-4-amine has a molecular weight of 228.09 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-but-3-enylpyrimidin-4-amine is sourced from PubChem (CID 106196154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).