4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione

C7H5BrN4S — CID 130944289

IUPAC4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione
SMILESNc1[nH]c(=S)nc2ncc(Br)cc12
InChIInChI=1S/C7H5BrN4S/c8-3-1-4-5(9)11-7(13)12-6(4)10-2-3/h1-2H,(H3,9,10,11,12,13)
InChIKeyIUJVAOAMLBOQSK-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.03
Rot. Bonds

About 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione

4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione (PubChem CID 130944289) has the molecular formula C7H5BrN4S and a molecular weight of 257.12 g/mol. Its IUPAC name is 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione
PubChem CID130944289
Molecular FormulaC7H5BrN4S
Molecular Weight257.12 g/mol
Exact Mass255.94
IUPAC Name4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione
SMILESNc1[nH]c(=S)nc2ncc(Br)cc12
InChIInChI=1S/C7H5BrN4S/c8-3-1-4-5(9)11-7(13)12-6(4)10-2-3/h1-2H,(H3,9,10,11,12,13)
InChIKeyIUJVAOAMLBOQSK-UHFFFAOYSA-N
XLogP2.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromo-4-methylpyrido[2,3-d]pyrimidine
CID 133055440
CID 89204152
CID 89204152
5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
CID 63154340
N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 135577900
5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 70115518
2-bromo-1H-imidazo[4,5-b]pyridin-6-amine
CID 84679452
6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine
CID 71758749
1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol
CID 66002551
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
5-bromo-1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
CID 155796652
3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol
CID 66166285

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione?
The IUPAC name of 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione (CID 130944289) is 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione is Nc1[nH]c(=S)nc2ncc(Br)cc12.
What is the InChIKey of 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione?
The InChIKey is IUJVAOAMLBOQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4S/c8-3-1-4-5(9)11-7(13)12-6(4)10-2-3/h1-2H,(H3,9,10,11,12,13).
What are the key properties of 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione?
4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione has a molecular weight of 257.12 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-3H-pyrido[2,3-d]pyrimidine-2-thione is sourced from PubChem (CID 130944289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).