(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate

C32H29ClN3O5P — CID 11814042

IUPAC(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2nc(N3CCOCC3)cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C32H29N3OP.ClHO4/c1-5-13-26(14-6-1)32-33-30(35-21-23-36-24-22-35)25-31(34-32)37(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29;2-1(3,4)5/h1-20,25H,21-24H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyDPLIIEDKZQERDB-UHFFFAOYSA-M
MW602.03 g/mol
LogP-0.16
Rot. Bonds6

About (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate

(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate (PubChem CID 11814042) has the molecular formula C32H29ClN3O5P and a molecular weight of 602.03 g/mol. Its IUPAC name is (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate.

Molecular Properties

Compound Name(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate
PubChem CID11814042
Molecular FormulaC32H29ClN3O5P
Molecular Weight602.03 g/mol
Exact Mass601.15
IUPAC Name(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2nc(N3CCOCC3)cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C32H29N3OP.ClHO4/c1-5-13-26(14-6-1)32-33-30(35-21-23-36-24-22-35)25-31(34-32)37(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29;2-1(3,4)5/h1-20,25H,21-24H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyDPLIIEDKZQERDB-UHFFFAOYSA-M
XLogP-0.16
TPSA130.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.03
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-morpholin-4-yl-2-phenyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112880500
4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 1378888
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
N,N-diethyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880527
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557
(4,6-dichloro-2-phenylpyrimidin-5-yl)-triphenylphosphanium perchlorate
CID 19166150
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 2218329
4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine
CID 3425802

Frequently Asked Questions

What is the IUPAC name of (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate?
The IUPAC name of (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate (CID 11814042) is (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate.
What is the SMILES notation for (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate?
The canonical SMILES for (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2nc(N3CCOCC3)cc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate?
The InChIKey is DPLIIEDKZQERDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H29N3OP.ClHO4/c1-5-13-26(14-6-1)32-33-30(35-21-23-36-24-22-35)25-31(34-32)37(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29;2-1(3,4)5/h1-20,25H,21-24H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate?
(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate has a molecular weight of 602.03 g/mol, XLogP of -0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-morpholin-4-yl-2-phenylpyrimidin-4-yl)-triphenylphosphanium perchlorate is sourced from PubChem (CID 11814042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).