N-diphenylphosphanyl-4-phenylpyrimidin-2-amine

C22H18N3P — CID 102232992

IUPACN-diphenylphosphanyl-4-phenylpyrimidin-2-amine
SMILESc1ccc(-c2ccnc(NP(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C22H18N3P/c1-4-10-18(11-5-1)21-16-17-23-22(24-21)25-26(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,23,24,25)
InChIKeyXWZRIKUXSZCQPK-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.60
Rot. Bonds5

About N-diphenylphosphanyl-4-phenylpyrimidin-2-amine

N-diphenylphosphanyl-4-phenylpyrimidin-2-amine (PubChem CID 102232992) has the molecular formula C22H18N3P and a molecular weight of 355.38 g/mol. Its IUPAC name is N-diphenylphosphanyl-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-diphenylphosphanyl-4-phenylpyrimidin-2-amine
PubChem CID102232992
Molecular FormulaC22H18N3P
Molecular Weight355.38 g/mol
Exact Mass355.12
IUPAC NameN-diphenylphosphanyl-4-phenylpyrimidin-2-amine
SMILESc1ccc(-c2ccnc(NP(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C22H18N3P/c1-4-10-18(11-5-1)21-16-17-23-22(24-21)25-26(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,23,24,25)
InChIKeyXWZRIKUXSZCQPK-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
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 N-diphenylphosphanyl-4-phenylpyrimidin-2-amine?
The IUPAC name of N-diphenylphosphanyl-4-phenylpyrimidin-2-amine (CID 102232992) is N-diphenylphosphanyl-4-phenylpyrimidin-2-amine.
What is the SMILES notation for N-diphenylphosphanyl-4-phenylpyrimidin-2-amine?
The canonical SMILES for N-diphenylphosphanyl-4-phenylpyrimidin-2-amine is c1ccc(-c2ccnc(NP(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N-diphenylphosphanyl-4-phenylpyrimidin-2-amine?
The InChIKey is XWZRIKUXSZCQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N3P/c1-4-10-18(11-5-1)21-16-17-23-22(24-21)25-26(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,23,24,25).
What are the key properties of N-diphenylphosphanyl-4-phenylpyrimidin-2-amine?
N-diphenylphosphanyl-4-phenylpyrimidin-2-amine has a molecular weight of 355.38 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 102232992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).