1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine

C8H22N8P2S2 — CID 87931272

IUPAC1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine
SMILESNP(N)(=S)N1C=CC=NC1.NP(N)(=S)N1CCNCC1
InChIInChI=1S/C4H13N4PS.C4H9N4PS/c5-9(6,10)8-3-1-7-2-4-8;5-9(6,10)8-3-1-2-7-4-8/h7H,1-4H2,(H4,5,6,10);1-3H,4H2,(H4,5,6,10)
InChIKeyIDRZGBQTGRNUSF-UHFFFAOYSA-N
MW356.40 g/mol
LogP-0.98
Rot. Bonds2

About 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine

1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine (PubChem CID 87931272) has the molecular formula C8H22N8P2S2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine.

Molecular Properties

Compound Name1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine
PubChem CID87931272
Molecular FormulaC8H22N8P2S2
Molecular Weight356.40 g/mol
Exact Mass356.09
IUPAC Name1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine
SMILESNP(N)(=S)N1C=CC=NC1.NP(N)(=S)N1CCNCC1
InChIInChI=1S/C4H13N4PS.C4H9N4PS/c5-9(6,10)8-3-1-7-2-4-8;5-9(6,10)8-3-1-2-7-4-8/h7H,1-4H2,(H4,5,6,10);1-3H,4H2,(H4,5,6,10)
InChIKeyIDRZGBQTGRNUSF-UHFFFAOYSA-N
XLogP-0.98
TPSA134.95 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 5-0.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine?
The IUPAC name of 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine (CID 87931272) is 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine.
What is the SMILES notation for 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine?
The canonical SMILES for 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine is NP(N)(=S)N1C=CC=NC1.NP(N)(=S)N1CCNCC1.
What is the InChIKey of 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine?
The InChIKey is IDRZGBQTGRNUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N4PS.C4H9N4PS/c5-9(6,10)8-3-1-7-2-4-8;5-9(6,10)8-3-1-2-7-4-8/h7H,1-4H2,(H4,5,6,10);1-3H,4H2,(H4,5,6,10).
What are the key properties of 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine?
1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine has a molecular weight of 356.40 g/mol, XLogP of -0.98, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diaminophosphinothioylpiperazine;1-diaminophosphinothioyl-2H-pyrimidine is sourced from PubChem (CID 87931272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).