5,6-dibromopyrimidin-4-amine

C4H3Br2N3 — CID 130067671

IUPAC5,6-dibromopyrimidin-4-amine
SMILESNc1ncnc(Br)c1Br
InChIInChI=1S/C4H3Br2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
InChIKeyPKUWASKUGGRLNQ-UHFFFAOYSA-N
MW252.90 g/mol
LogP1.58
Rot. Bonds

About 5,6-dibromopyrimidin-4-amine

5,6-dibromopyrimidin-4-amine (PubChem CID 130067671) has the molecular formula C4H3Br2N3 and a molecular weight of 252.90 g/mol. Its IUPAC name is 5,6-dibromopyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dibromopyrimidin-4-amine
PubChem CID130067671
Molecular FormulaC4H3Br2N3
Molecular Weight252.90 g/mol
Exact Mass250.87
IUPAC Name5,6-dibromopyrimidin-4-amine
SMILESNc1ncnc(Br)c1Br
InChIInChI=1S/C4H3Br2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
InChIKeyPKUWASKUGGRLNQ-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.90
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-dibromopyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-methylpyrimidin-4-amine
CID 604534
5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 114073419
5-bromo-6-(3-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073529
5-bromo-6-(2-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073540
5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine
CID 114073133
8-bromopyrido[3,2-d]pyrimidin-4-amine
CID 172552100
4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine
CID 83680827
5-bromo-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 114071935
5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine
CID 114073020
4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 114073522
5-bromo-6-(4-tert-butylpiperidin-1-yl)pyrimidin-4-amine
CID 114072184
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromopyrimidin-4-amine?
The IUPAC name of 5,6-dibromopyrimidin-4-amine (CID 130067671) is 5,6-dibromopyrimidin-4-amine.
What is the SMILES notation for 5,6-dibromopyrimidin-4-amine?
The canonical SMILES for 5,6-dibromopyrimidin-4-amine is Nc1ncnc(Br)c1Br.
What is the InChIKey of 5,6-dibromopyrimidin-4-amine?
The InChIKey is PKUWASKUGGRLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9).
What are the key properties of 5,6-dibromopyrimidin-4-amine?
5,6-dibromopyrimidin-4-amine has a molecular weight of 252.90 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromopyrimidin-4-amine is sourced from PubChem (CID 130067671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).