N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide

C6H7BrN4OS — CID 90823347

IUPACN-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide
SMILESCSc1ncc(Br)c(N(N)C=O)n1
InChIInChI=1S/C6H7BrN4OS/c1-13-6-9-2-4(7)5(10-6)11(8)3-12/h2-3H,8H2,1H3
InChIKeyQTXFQFJLYWALPE-UHFFFAOYSA-N
MW263.12 g/mol
LogP0.80
Rot. Bonds3

About N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide

N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide (PubChem CID 90823347) has the molecular formula C6H7BrN4OS and a molecular weight of 263.12 g/mol. Its IUPAC name is N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide.

Molecular Properties

Compound NameN-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide
PubChem CID90823347
Molecular FormulaC6H7BrN4OS
Molecular Weight263.12 g/mol
Exact Mass261.95
IUPAC NameN-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide
SMILESCSc1ncc(Br)c(N(N)C=O)n1
InChIInChI=1S/C6H7BrN4OS/c1-13-6-9-2-4(7)5(10-6)11(8)3-12/h2-3H,8H2,1H3
InChIKeyQTXFQFJLYWALPE-UHFFFAOYSA-N
XLogP0.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide?
The IUPAC name of N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide (CID 90823347) is N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide.
What is the SMILES notation for N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide?
The canonical SMILES for N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide is CSc1ncc(Br)c(N(N)C=O)n1.
What is the InChIKey of N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide?
The InChIKey is QTXFQFJLYWALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4OS/c1-13-6-9-2-4(7)5(10-6)11(8)3-12/h2-3H,8H2,1H3.
What are the key properties of N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide?
N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide has a molecular weight of 263.12 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)formamide is sourced from PubChem (CID 90823347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).