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

C18H22N6O — CID 112913267

IUPAC4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile
SMILESCc1cc(NCCN2CCOCC2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C18H22N6O/c1-14-12-17(20-6-7-24-8-10-25-11-9-24)23-18(21-14)22-16-4-2-15(13-19)3-5-16/h2-5,12H,6-11H2,1H3,(H2,20,21,22,23)
InChIKeyHROPOYBJYJUCTK-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.14
Rot. Bonds6

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

4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile (PubChem CID 112913267) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile
PubChem CID112913267
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile
SMILESCc1cc(NCCN2CCOCC2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C18H22N6O/c1-14-12-17(20-6-7-24-8-10-25-11-9-24)23-18(21-14)22-16-4-2-15(13-19)3-5-16/h2-5,12H,6-11H2,1H3,(H2,20,21,22,23)
InChIKeyHROPOYBJYJUCTK-UHFFFAOYSA-N
XLogP2.14
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117083396
4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112906997
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913356
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270
2-N-tert-butyl-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913170
2-N-(2-bromophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913247
N-[4-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112913388
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913213
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
4-[[4-(4-tert-butylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929265
4-[[4-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112920828

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile (CID 112913267) is 4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile is Cc1cc(NCCN2CCOCC2)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile?
The InChIKey is HROPOYBJYJUCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-14-12-17(20-6-7-24-8-10-25-11-9-24)23-18(21-14)22-16-4-2-15(13-19)3-5-16/h2-5,12H,6-11H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile?
4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile has a molecular weight of 338.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 112913267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).