4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine

C14H15ClN2O3S — CID 80944929

IUPAC4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(Oc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C14H15ClN2O3S/c1-9(2)14-16-12(15)8-13(17-14)20-10-5-4-6-11(7-10)21(3,18)19/h4-9H,1-3H3
InChIKeyYGKSTDMIRVLCQX-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.45
Rot. Bonds4

About 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine

4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine (PubChem CID 80944929) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine
PubChem CID80944929
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(Oc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C14H15ClN2O3S/c1-9(2)14-16-12(15)8-13(17-14)20-10-5-4-6-11(7-10)21(3,18)19/h4-9H,1-3H3
InChIKeyYGKSTDMIRVLCQX-UHFFFAOYSA-N
XLogP3.45
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
3-chloro-6-(3-methylsulfonylphenoxy)pyridazine
CID 54915361
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948461
3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine
CID 61267710
3,5-dichloro-6-(3-methylsulfonylphenoxy)pyridin-2-amine
CID 102760799
2-methyl-6-(3-methylsulfonylphenoxy)pyridine-4-carbothioamide
CID 114768173
N-methyl-2-methylsulfanyl-6-(3-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875503
1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807091
6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine (CID 80944929) is 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(Oc2cccc(S(C)(=O)=O)c2)n1.
What is the InChIKey of 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine?
The InChIKey is YGKSTDMIRVLCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9(2)14-16-12(15)8-13(17-14)20-10-5-4-6-11(7-10)21(3,18)19/h4-9H,1-3H3.
What are the key properties of 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine?
4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine has a molecular weight of 326.81 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80944929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).