5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine

C7H6Br2ClN3 — CID 106195566

IUPAC5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine
SMILESC=C(Br)CNc1ncnc(Cl)c1Br
InChIInChI=1S/C7H6Br2ClN3/c1-4(8)2-11-7-5(9)6(10)12-3-13-7/h3H,1-2H2,(H,11,12,13)
InChIKeyXWHDWCDNGFWMIW-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.21
Rot. Bonds3

About 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine

5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine (PubChem CID 106195566) has the molecular formula C7H6Br2ClN3 and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine
PubChem CID106195566
Molecular FormulaC7H6Br2ClN3
Molecular Weight327.41 g/mol
Exact Mass324.86
IUPAC Name5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine
SMILESC=C(Br)CNc1ncnc(Cl)c1Br
InChIInChI=1S/C7H6Br2ClN3/c1-4(8)2-11-7-5(9)6(10)12-3-13-7/h3H,1-2H2,(H,11,12,13)
InChIKeyXWHDWCDNGFWMIW-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine (CID 106195566) is 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine is C=C(Br)CNc1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine?
The InChIKey is XWHDWCDNGFWMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2ClN3/c1-4(8)2-11-7-5(9)6(10)12-3-13-7/h3H,1-2H2,(H,11,12,13).
What are the key properties of 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine?
5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine has a molecular weight of 327.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine is sourced from PubChem (CID 106195566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).