2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile

C18H15N7O — CID 19141249

IUPAC2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
SMILESCc1ccc2cccc(Oc3ncnc(N(CC#N)CC#N)c3N)c2n1
InChIInChI=1S/C18H15N7O/c1-12-5-6-13-3-2-4-14(16(13)24-12)26-18-15(21)17(22-11-23-18)25(9-7-19)10-8-20/h2-6,11H,9-10,21H2,1H3
InChIKeyVUVCKWPLKRZHQI-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.56
Rot. Bonds5

About 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile

2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile (PubChem CID 19141249) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
PubChem CID19141249
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
SMILESCc1ccc2cccc(Oc3ncnc(N(CC#N)CC#N)c3N)c2n1
InChIInChI=1S/C18H15N7O/c1-12-5-6-13-3-2-4-14(16(13)24-12)26-18-15(21)17(22-11-23-18)25(9-7-19)10-8-20/h2-6,11H,9-10,21H2,1H3
InChIKeyVUVCKWPLKRZHQI-UHFFFAOYSA-N
XLogP2.56
TPSA124.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-(2-cyanoethyl)amino]propanenitrile
CID 22541400
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141896
4-(2-methylquinolin-8-yl)oxy-6-morpholin-4-ylpyrimidin-5-amine
CID 19137637
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19141927
N-[4-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]amino]phenyl]acetamide
CID 19141998
4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19142004
4-N-(1-adamantyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141897
6-(2-methylquinolin-8-yl)oxypyridine-3-carbonitrile
CID 43244932
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142003

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile?
The IUPAC name of 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile (CID 19141249) is 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile.
What is the SMILES notation for 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile?
The canonical SMILES for 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile is Cc1ccc2cccc(Oc3ncnc(N(CC#N)CC#N)c3N)c2n1.
What is the InChIKey of 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile?
The InChIKey is VUVCKWPLKRZHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-12-5-6-13-3-2-4-14(16(13)24-12)26-18-15(21)17(22-11-23-18)25(9-7-19)10-8-20/h2-6,11H,9-10,21H2,1H3.
What are the key properties of 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile?
2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile has a molecular weight of 345.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile is sourced from PubChem (CID 19141249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).