6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile

C16H12N4O — CID 107545802

IUPAC6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cccc3ccc(C)nc23)n1
InChIInChI=1S/C16H12N4O/c1-10-6-7-12-4-3-5-14(15(12)18-10)21-16-19-11(2)8-13(9-17)20-16/h3-8H,1-2H3
InChIKeyRMZYUVDKAYZDOQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.31
Rot. Bonds2

About 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile

6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile (PubChem CID 107545802) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
PubChem CID107545802
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cccc3ccc(C)nc23)n1
InChIInChI=1S/C16H12N4O/c1-10-6-7-12-4-3-5-14(15(12)18-10)21-16-19-11(2)8-13(9-17)20-16/h3-8H,1-2H3
InChIKeyRMZYUVDKAYZDOQ-UHFFFAOYSA-N
XLogP3.31
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
CID 107546090
6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile
CID 107545995
6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545714
4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile
CID 43352179
2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107552173
6-(2-methylquinolin-8-yl)oxypyridine-3-carbonitrile
CID 43244932
8-(4-methylphenoxy)quinoline-2-carbonitrile
CID 102941340
2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
CID 116797777
CID 20665518
CID 20665518
[4-methyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-yl]hydrazine
CID 80913418

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile (CID 107545802) is 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Oc2cccc3ccc(C)nc23)n1.
What is the InChIKey of 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile?
The InChIKey is RMZYUVDKAYZDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-6-7-12-4-3-5-14(15(12)18-10)21-16-19-11(2)8-13(9-17)20-16/h3-8H,1-2H3.
What are the key properties of 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile?
6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile is sourced from PubChem (CID 107545802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).