2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile

C14H12ClN3O — CID 107545806

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C14H12ClN3O/c1-8-4-12(5-9(2)13(8)15)19-14-17-10(3)6-11(7-16)18-14/h4-6H,1-3H3
InChIKeyPGYKKAYWVUVKDU-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.72
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile

2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107545806) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile
PubChem CID107545806
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C14H12ClN3O/c1-8-4-12(5-9(2)13(8)15)19-14-17-10(3)6-11(7-16)18-14/h4-6H,1-3H3
InChIKeyPGYKKAYWVUVKDU-UHFFFAOYSA-N
XLogP3.72
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-4-carbonitrile
CID 107546005
2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile
CID 107545800
4-chloro-2-(4-cyano-6-methylpyrimidin-2-yl)oxybenzoic acid
CID 107553002
2-butoxy-6-methylpyrimidine-4-carbonitrile
CID 107545811
2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107552173
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
6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
CID 107545802
2-(4-bromo-3,5-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107723258
2-(3,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60710655
6-methyl-2-pentoxypyrimidine-4-carbonitrile
CID 107545813

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile (CID 107545806) is 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Oc2cc(C)c(Cl)c(C)c2)n1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is PGYKKAYWVUVKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-4-12(5-9(2)13(8)15)19-14-17-10(3)6-11(7-16)18-14/h4-6H,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile?
2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107545806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).