4-amino-2-bromopyrimidine-5-carbonitrile

C5H3BrN4 — CID 2735285

IUPAC4-amino-2-bromopyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Br)nc1N
InChIInChI=1S/C5H3BrN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)
InChIKeyCXYLLFGNJJCGHM-UHFFFAOYSA-N
MW199.01 g/mol
LogP0.69
Rot. Bonds

About 4-amino-2-bromopyrimidine-5-carbonitrile

4-amino-2-bromopyrimidine-5-carbonitrile (PubChem CID 2735285) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 4-amino-2-bromopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-bromopyrimidine-5-carbonitrile
PubChem CID2735285
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name4-amino-2-bromopyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Br)nc1N
InChIInChI=1S/C5H3BrN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)
InChIKeyCXYLLFGNJJCGHM-UHFFFAOYSA-N
XLogP0.69
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromopyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-bromopyrimidine-5-carbonitrile (CID 2735285) is 4-amino-2-bromopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-bromopyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-bromopyrimidine-5-carbonitrile is N#Cc1cnc(Br)nc1N.
What is the InChIKey of 4-amino-2-bromopyrimidine-5-carbonitrile?
The InChIKey is CXYLLFGNJJCGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10).
What are the key properties of 4-amino-2-bromopyrimidine-5-carbonitrile?
4-amino-2-bromopyrimidine-5-carbonitrile has a molecular weight of 199.01 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromopyrimidine-5-carbonitrile is sourced from PubChem (CID 2735285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).