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

C4H6Cl2N5OP — CID 15551939

IUPAC4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine
SMILESNP(N)(=O)Nc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C4H6Cl2N5OP/c5-2-1-3(6)10-4(9-2)11-13(7,8)12/h1H,(H5,7,8,9,10,11,12)
InChIKeyQWJNPIDQLQYMPV-UHFFFAOYSA-N
MW242.01 g/mol
LogP1.22
Rot. Bonds2

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

4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine (PubChem CID 15551939) has the molecular formula C4H6Cl2N5OP and a molecular weight of 242.01 g/mol. Its IUPAC name is 4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine
PubChem CID15551939
Molecular FormulaC4H6Cl2N5OP
Molecular Weight242.01 g/mol
Exact Mass240.97
IUPAC Name4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine
SMILESNP(N)(=O)Nc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C4H6Cl2N5OP/c5-2-1-3(6)10-4(9-2)11-13(7,8)12/h1H,(H5,7,8,9,10,11,12)
InChIKeyQWJNPIDQLQYMPV-UHFFFAOYSA-N
XLogP1.22
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.01
LogP ≤ 51.22
H-Bond Donors ≤ 53
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-diaminophosphorylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine (CID 15551939) is 4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine is NP(N)(=O)Nc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine?
The InChIKey is QWJNPIDQLQYMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2N5OP/c5-2-1-3(6)10-4(9-2)11-13(7,8)12/h1H,(H5,7,8,9,10,11,12).
What are the key properties of 4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine?
4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine has a molecular weight of 242.01 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-diaminophosphorylpyrimidin-2-amine is sourced from PubChem (CID 15551939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).