4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine

C14H15ClN2OS — CID 63734722

IUPAC4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1ccccc1SC
InChIInChI=1S/C14H15ClN2OS/c1-3-6-10-13(15)16-9-17-14(10)18-11-7-4-5-8-12(11)19-2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyOMKBFCGGUMPKMA-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.60
Rot. Bonds5

About 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine

4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine (PubChem CID 63734722) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
PubChem CID63734722
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1ccccc1SC
InChIInChI=1S/C14H15ClN2OS/c1-3-6-10-13(15)16-9-17-14(10)18-11-7-4-5-8-12(11)19-2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyOMKBFCGGUMPKMA-UHFFFAOYSA-N
XLogP4.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
CID 63734721
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
CID 103044702
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
4-chloro-6-(2,5-dichlorophenoxy)-5-propylpyrimidine
CID 63735881
[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine
CID 80925890
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664674
4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
CID 63733980
4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
CID 63730614

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine (CID 63734722) is 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine is CCCc1c(Cl)ncnc1Oc1ccccc1SC.
What is the InChIKey of 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine?
The InChIKey is OMKBFCGGUMPKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-3-6-10-13(15)16-9-17-14(10)18-11-7-4-5-8-12(11)19-2/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine?
4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine has a molecular weight of 294.81 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine is sourced from PubChem (CID 63734722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).