2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile

C17H20N6O — CID 112857711

IUPAC2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C17H20N6O/c18-12-14-3-1-2-4-15(14)22-17-11-16(20-13-21-17)19-5-6-23-7-9-24-10-8-23/h1-4,11,13H,5-10H2,(H2,19,20,21,22)
InChIKeyRJNATQJCCDGLNI-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.84
Rot. Bonds6

About 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile

2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile (PubChem CID 112857711) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
PubChem CID112857711
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C17H20N6O/c18-12-14-3-1-2-4-15(14)22-17-11-16(20-13-21-17)19-5-6-23-7-9-24-10-8-23/h1-4,11,13H,5-10H2,(H2,19,20,21,22)
InChIKeyRJNATQJCCDGLNI-UHFFFAOYSA-N
XLogP1.84
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168139
2-(2-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168019
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112857696
4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857698
4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857691
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
2-[[6-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112866933
4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857717
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427
4-N-(2-ethyl-6-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857635
2-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112859839
2-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865526

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile (CID 112857711) is 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile is N#Cc1ccccc1Nc1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile?
The InChIKey is RJNATQJCCDGLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c18-12-14-3-1-2-4-15(14)22-17-11-16(20-13-21-17)19-5-6-23-7-9-24-10-8-23/h1-4,11,13H,5-10H2,(H2,19,20,21,22).
What are the key properties of 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile?
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile has a molecular weight of 324.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112857711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).