4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine

C10H11ClN4OS — CID 116801035

IUPAC4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine
SMILESCCn1cc(Oc2cc(Cl)nc(SC)n2)cn1
InChIInChI=1S/C10H11ClN4OS/c1-3-15-6-7(5-12-15)16-9-4-8(11)13-10(14-9)17-2/h4-6H,3H2,1-2H3
InChIKeyMGTKNXCMSLXFLY-UHFFFAOYSA-N
MW270.75 g/mol
LogP2.86
Rot. Bonds4

About 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine

4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine (PubChem CID 116801035) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine
PubChem CID116801035
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine
SMILESCCn1cc(Oc2cc(Cl)nc(SC)n2)cn1
InChIInChI=1S/C10H11ClN4OS/c1-3-15-6-7(5-12-15)16-9-4-8(11)13-10(14-9)17-2/h4-6H,3H2,1-2H3
InChIKeyMGTKNXCMSLXFLY-UHFFFAOYSA-N
XLogP2.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine
CID 116801019
2-chloro-6-(1-ethylpyrazol-4-yl)oxypyrazine
CID 116801023
4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine
CID 80542273
4-butan-2-yloxy-6-chloro-2-methylsulfanylpyrimidine
CID 80544459
N-[[2-(1-ethylpyrazol-4-yl)oxy-6-methyl-4-pyridinyl]methyl]ethanamine
CID 116802886
1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
CID 114929109
4-chloro-5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-1,3-thiazole
CID 116802045
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine
CID 116805934
N-[[2-(1-ethylpyrazol-4-yl)oxy-6-methyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802838
4-chloro-2-methylsulfanyl-6-(3-nitrophenoxy)pyrimidine
CID 113221050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine (CID 116801035) is 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine is CCn1cc(Oc2cc(Cl)nc(SC)n2)cn1.
What is the InChIKey of 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine?
The InChIKey is MGTKNXCMSLXFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-3-15-6-7(5-12-15)16-9-4-8(11)13-10(14-9)17-2/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine?
4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine has a molecular weight of 270.75 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine is sourced from PubChem (CID 116801035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).