4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine

C4H2Cl4N3OP — CID 14766148

IUPAC4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine
SMILESO=P(Cl)(Cl)Nc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C4H2Cl4N3OP/c5-2-1-3(6)10-4(9-2)11-13(7,8)12/h1H,(H,9,10,11,12)
InChIKeyQOFHSFJTQJRTQG-UHFFFAOYSA-N
MW280.87 g/mol
LogP3.78
Rot. Bonds2

About 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine

4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine (PubChem CID 14766148) has the molecular formula C4H2Cl4N3OP and a molecular weight of 280.87 g/mol. Its IUPAC name is 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine
PubChem CID14766148
Molecular FormulaC4H2Cl4N3OP
Molecular Weight280.87 g/mol
Exact Mass278.87
IUPAC Name4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine
SMILESO=P(Cl)(Cl)Nc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C4H2Cl4N3OP/c5-2-1-3(6)10-4(9-2)11-13(7,8)12/h1H,(H,9,10,11,12)
InChIKeyQOFHSFJTQJRTQG-UHFFFAOYSA-N
XLogP3.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine (CID 14766148) is 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine is O=P(Cl)(Cl)Nc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine?
The InChIKey is QOFHSFJTQJRTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl4N3OP/c5-2-1-3(6)10-4(9-2)11-13(7,8)12/h1H,(H,9,10,11,12).
What are the key properties of 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine?
4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine has a molecular weight of 280.87 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-dichlorophosphorylpyrimidin-2-amine is sourced from PubChem (CID 14766148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).