tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane

C18H28N4P2 — CID 141153822

IUPACtert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane
SMILESCC(P(c1ncccn1)C(C)(C)C)P(c1ncccn1)C(C)(C)C
InChIInChI=1S/C18H28N4P2/c1-14(23(17(2,3)4)15-19-10-8-11-20-15)24(18(5,6)7)16-21-12-9-13-22-16/h8-14H,1-7H3
InChIKeyQLKPESOGDVIWEG-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.12
Rot. Bonds4

About tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane

tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane (PubChem CID 141153822) has the molecular formula C18H28N4P2 and a molecular weight of 362.40 g/mol. Its IUPAC name is tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane.

Molecular Properties

Compound Nametert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane
PubChem CID141153822
Molecular FormulaC18H28N4P2
Molecular Weight362.40 g/mol
Exact Mass362.18
IUPAC Nametert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane
SMILESCC(P(c1ncccn1)C(C)(C)C)P(c1ncccn1)C(C)(C)C
InChIInChI=1S/C18H28N4P2/c1-14(23(17(2,3)4)15-19-10-8-11-20-15)24(18(5,6)7)16-21-12-9-13-22-16/h8-14H,1-7H3
InChIKeyQLKPESOGDVIWEG-UHFFFAOYSA-N
XLogP4.12
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
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 tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane?
The IUPAC name of tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane (CID 141153822) is tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane.
What is the SMILES notation for tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane?
The canonical SMILES for tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane is CC(P(c1ncccn1)C(C)(C)C)P(c1ncccn1)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane?
The InChIKey is QLKPESOGDVIWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4P2/c1-14(23(17(2,3)4)15-19-10-8-11-20-15)24(18(5,6)7)16-21-12-9-13-22-16/h8-14H,1-7H3.
What are the key properties of tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane?
tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane has a molecular weight of 362.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane is sourced from PubChem (CID 141153822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).