tri(pyrimidin-2-yl)phosphane

C12H9N6P — CID 102316170

IUPACtri(pyrimidin-2-yl)phosphane
SMILESc1cnc(P(c2ncccn2)c2ncccn2)nc1
InChIInChI=1S/C12H9N6P/c1-4-13-10(14-5-1)19(11-15-6-2-7-16-11)12-17-8-3-9-18-12/h1-9H
InChIKeyGQMNFXYKMAVIHN-UHFFFAOYSA-N
MW268.22 g/mol
LogP-0.19
Rot. Bonds3

About tri(pyrimidin-2-yl)phosphane

tri(pyrimidin-2-yl)phosphane (PubChem CID 102316170) has the molecular formula C12H9N6P and a molecular weight of 268.22 g/mol. Its IUPAC name is tri(pyrimidin-2-yl)phosphane.

Molecular Properties

Compound Nametri(pyrimidin-2-yl)phosphane
PubChem CID102316170
Molecular FormulaC12H9N6P
Molecular Weight268.22 g/mol
Exact Mass268.06
IUPAC Nametri(pyrimidin-2-yl)phosphane
SMILESc1cnc(P(c2ncccn2)c2ncccn2)nc1
InChIInChI=1S/C12H9N6P/c1-4-13-10(14-5-1)19(11-15-6-2-7-16-11)12-17-8-3-9-18-12/h1-9H
InChIKeyGQMNFXYKMAVIHN-UHFFFAOYSA-N
XLogP-0.19
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(pyrimidin-2-yl)phosphane?
The IUPAC name of tri(pyrimidin-2-yl)phosphane (CID 102316170) is tri(pyrimidin-2-yl)phosphane.
What is the SMILES notation for tri(pyrimidin-2-yl)phosphane?
The canonical SMILES for tri(pyrimidin-2-yl)phosphane is c1cnc(P(c2ncccn2)c2ncccn2)nc1.
What is the InChIKey of tri(pyrimidin-2-yl)phosphane?
The InChIKey is GQMNFXYKMAVIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N6P/c1-4-13-10(14-5-1)19(11-15-6-2-7-16-11)12-17-8-3-9-18-12/h1-9H.
What are the key properties of tri(pyrimidin-2-yl)phosphane?
tri(pyrimidin-2-yl)phosphane has a molecular weight of 268.22 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tri(pyrimidin-2-yl)phosphane is sourced from PubChem (CID 102316170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).