4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine

C16H11Cl2N3O — CID 2725931

IUPAC4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(Oc2cc(Cl)cc(Cl)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H11Cl2N3O/c1-10-6-15(22-13-8-11(17)7-12(18)9-13)21-16(20-10)14-4-2-3-5-19-14/h2-9H,1H3
InChIKeyWXGWHMOTAKRYIU-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.95
Rot. Bonds3

About 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine

4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine (PubChem CID 2725931) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine
PubChem CID2725931
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(Oc2cc(Cl)cc(Cl)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H11Cl2N3O/c1-10-6-15(22-13-8-11(17)7-12(18)9-13)21-16(20-10)14-4-2-3-5-19-14/h2-9H,1H3
InChIKeyWXGWHMOTAKRYIU-UHFFFAOYSA-N
XLogP4.95
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorophenoxy)-6-methyl-2-(2-pyridyl)pyrimidine
CID 2725932
4-(4-Chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1475725
4-(2-Chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1478446
5-Methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
CID 3849120
5-Methoxy-4-(4-methoxyphenoxy)-2-(2-pyridinyl)pyrimidine
CID 3343835
4-(2-Chlorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 3846667
4-(4-Chlorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 3847340
N-(2-(3-chlorobenzyloxy)-6-methylpyridin-4-yl)-N-methylpyrimidin-5-amine
CID 44410038
N-methyl-4-phenoxy-6-pyridin-2-ylpyrimidin-2-amine
CID 168292047
Phenyl 2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl ether
CID 1475723
4-(3-Chlorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 3722206
2-N-[4-(3-chlorophenoxy)phenyl]pyrimidine-2,4-diamine
CID 70693647

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine (CID 2725931) is 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine is Cc1cc(Oc2cc(Cl)cc(Cl)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine?
The InChIKey is WXGWHMOTAKRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c1-10-6-15(22-13-8-11(17)7-12(18)9-13)21-16(20-10)14-4-2-3-5-19-14/h2-9H,1H3.
What are the key properties of 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine?
4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine has a molecular weight of 332.19 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenoxy)-6-methyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 2725931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).