4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile

C20H18N6O — CID 1201799

IUPAC4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H18N6O/c21-15-18-22-19(25-11-13-27-14-12-25)24-20(23-18)26(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-14H2
InChIKeyHALQGNYTLKYDHV-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.05
Rot. Bonds4

About 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile

4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile (PubChem CID 1201799) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile
PubChem CID1201799
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H18N6O/c21-15-18-22-19(25-11-13-27-14-12-25)24-20(23-18)26(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-14H2
InChIKeyHALQGNYTLKYDHV-UHFFFAOYSA-N
XLogP3.05
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
4-Amino-6-(diphenylamino)-1,3,5-triazine-2-carbonitrile
CID 712283
4-(Diphenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 714958
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
4,6-Bis[ethyl(phenyl)amino]-1,3,5-triazine-2-carbonitrile
CID 1505285
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
4-(diphenylamino)-N,N,N-trimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-aminium
CID 3513539
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
s-Triazine, 2-amino-4-morpholino-6-((4-phenyl-1-piperazinyl)methyl)-
CID 210898
(4-Amino-6-morpholino-s-triazin-2-yl)-diphenyl-amine
CID 709348
4-(N-cyclohexyl-2-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 73356614

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile (CID 1201799) is 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is HALQGNYTLKYDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-15-18-22-19(25-11-13-27-14-12-25)24-20(23-18)26(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-14H2.
What are the key properties of 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile?
4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 358.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 1201799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).