tert-butyl-ethyl-pyrimidin-2-ylphosphane

C10H17N2P — CID 151408012

IUPACtert-butyl-ethyl-pyrimidin-2-ylphosphane
SMILESCCP(c1ncccn1)C(C)(C)C
InChIInChI=1S/C10H17N2P/c1-5-13(10(2,3)4)9-11-7-6-8-12-9/h6-8H,5H2,1-4H3
InChIKeyOXXISVYNHWZRKR-UHFFFAOYSA-N
MW196.23 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl-ethyl-pyrimidin-2-ylphosphane

tert-butyl-ethyl-pyrimidin-2-ylphosphane (PubChem CID 151408012) has the molecular formula C10H17N2P and a molecular weight of 196.23 g/mol. Its IUPAC name is tert-butyl-ethyl-pyrimidin-2-ylphosphane.

Molecular Properties

Compound Nametert-butyl-ethyl-pyrimidin-2-ylphosphane
PubChem CID151408012
Molecular FormulaC10H17N2P
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Nametert-butyl-ethyl-pyrimidin-2-ylphosphane
SMILESCCP(c1ncccn1)C(C)(C)C
InChIInChI=1S/C10H17N2P/c1-5-13(10(2,3)4)9-11-7-6-8-12-9/h6-8H,5H2,1-4H3
InChIKeyOXXISVYNHWZRKR-UHFFFAOYSA-N
XLogP2.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-ethyl-pyrimidin-2-ylphosphane?
The IUPAC name of tert-butyl-ethyl-pyrimidin-2-ylphosphane (CID 151408012) is tert-butyl-ethyl-pyrimidin-2-ylphosphane.
What is the SMILES notation for tert-butyl-ethyl-pyrimidin-2-ylphosphane?
The canonical SMILES for tert-butyl-ethyl-pyrimidin-2-ylphosphane is CCP(c1ncccn1)C(C)(C)C.
What is the InChIKey of tert-butyl-ethyl-pyrimidin-2-ylphosphane?
The InChIKey is OXXISVYNHWZRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2P/c1-5-13(10(2,3)4)9-11-7-6-8-12-9/h6-8H,5H2,1-4H3.
What are the key properties of tert-butyl-ethyl-pyrimidin-2-ylphosphane?
tert-butyl-ethyl-pyrimidin-2-ylphosphane has a molecular weight of 196.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethyl-pyrimidin-2-ylphosphane is sourced from PubChem (CID 151408012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).