2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine

C17H14ClN3O — CID 14458723

IUPAC2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2ccc(C)c(Oc3ccccc3Cl)n2)n1
InChIInChI=1S/C17H14ClN3O/c1-11-7-8-14(16-19-10-9-12(2)20-16)21-17(11)22-15-6-4-3-5-13(15)18/h3-10H,1-2H3
InChIKeyFQVFJBDKIVBNNX-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.60
Rot. Bonds3

About 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine

2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine (PubChem CID 14458723) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine
PubChem CID14458723
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2ccc(C)c(Oc3ccccc3Cl)n2)n1
InChIInChI=1S/C17H14ClN3O/c1-11-7-8-14(16-19-10-9-12(2)20-16)21-17(11)22-15-6-4-3-5-13(15)18/h3-10H,1-2H3
InChIKeyFQVFJBDKIVBNNX-UHFFFAOYSA-N
XLogP4.60
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458749
2-[6-(2-methoxyphenoxy)-5-methyl-2-pyridinyl]quinazoline
CID 67688966
2-[6-(2-fluorophenoxy)-5-methyl-2-pyridinyl]quinazoline
CID 67688968
4-methyl-2-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]pyrimidine
CID 14281096
4-methyl-2-[6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
CID 14796154
2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458740
4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine
CID 14458745
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
3-(2-chlorophenoxy)pyrazin-2-amine
CID 102987821
2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175739
2-[6-[2-chloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine
CID 139724262
4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine
CID 19780240

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine?
The IUPAC name of 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine (CID 14458723) is 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine?
The canonical SMILES for 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine is Cc1ccnc(-c2ccc(C)c(Oc3ccccc3Cl)n2)n1.
What is the InChIKey of 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine?
The InChIKey is FQVFJBDKIVBNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11-7-8-14(16-19-10-9-12(2)20-16)21-17(11)22-15-6-4-3-5-13(15)18/h3-10H,1-2H3.
What are the key properties of 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine?
2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine has a molecular weight of 311.77 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine is sourced from PubChem (CID 14458723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).