2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile

C14H14N4O — CID 107546090

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
SMILESCCc1nc(C)ccc1Oc1nc(C)cc(C#N)n1
InChIInChI=1S/C14H14N4O/c1-4-12-13(6-5-9(2)16-12)19-14-17-10(3)7-11(8-15)18-14/h5-7H,4H2,1-3H3
InChIKeyWVBXDLMKLLEPFO-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.71
Rot. Bonds3

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107546090) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
PubChem CID107546090
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
SMILESCCc1nc(C)ccc1Oc1nc(C)cc(C#N)n1
InChIInChI=1S/C14H14N4O/c1-4-12-13(6-5-9(2)16-12)19-14-17-10(3)7-11(8-15)18-14/h5-7H,4H2,1-3H3
InChIKeyWVBXDLMKLLEPFO-UHFFFAOYSA-N
XLogP2.71
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
CID 107545802
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
CID 103174694
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile
CID 103174716
2,4-dichloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazine
CID 103174578
6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile
CID 107545995
2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107552173
2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile
CID 103174342
6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545714
2-butoxy-6-methylpyrimidine-4-carbonitrile
CID 107545811
2-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545863
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile
CID 103174665
6-methyl-2-pentoxypyrimidine-4-carbonitrile
CID 107545813

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile (CID 107546090) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile is CCc1nc(C)ccc1Oc1nc(C)cc(C#N)n1.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is WVBXDLMKLLEPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-4-12-13(6-5-9(2)16-12)19-14-17-10(3)7-11(8-15)18-14/h5-7H,4H2,1-3H3.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107546090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).