4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C23H28N5OP — CID 44515823

IUPAC4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(N2CCOCC2)nc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H28N5OP/c1-3-27(4-2)21-24-22(28-15-17-29-18-16-28)26-23(25-21)30(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKeySTTVPXBHLIPTLQ-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.31
Rot. Bonds7

About 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 44515823) has the molecular formula C23H28N5OP and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID44515823
Molecular FormulaC23H28N5OP
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC Name4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(N2CCOCC2)nc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H28N5OP/c1-3-27(4-2)21-24-22(28-15-17-29-18-16-28)26-23(25-21)30(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKeySTTVPXBHLIPTLQ-UHFFFAOYSA-N
XLogP2.31
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955716
1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one
CID 23607032
6-[16-[4-(diethylamino)-6-(dipyridin-2-ylamino)-1,3,5-triazin-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-4-N,4-N-diethyl-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iron(2+);diisothiocyanate
CID 139160837
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
4-N-ethyl-2-N-methyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773862
2-[ethyl-[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 103104356
N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112886592
trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride
CID 11270270
N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382
4-N-butyl-4-N-ethyl-2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80756096
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 44515823) is 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCN(CC)c1nc(N2CCOCC2)nc(P(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is STTVPXBHLIPTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N5OP/c1-3-27(4-2)21-24-22(28-15-17-29-18-16-28)26-23(25-21)30(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3.
What are the key properties of 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 421.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 44515823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).