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

C12H15ClN4O — CID 116801019

IUPAC4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cnn(CC)c2)n1
InChIInChI=1S/C12H15ClN4O/c1-3-5-11-15-10(13)6-12(16-11)18-9-7-14-17(4-2)8-9/h6-8H,3-5H2,1-2H3
InChIKeyLTKJXLWVYKPTPA-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.09
Rot. Bonds5

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

4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine (PubChem CID 116801019) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine
PubChem CID116801019
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2cnn(CC)c2)n1
InChIInChI=1S/C12H15ClN4O/c1-3-5-11-15-10(13)6-12(16-11)18-9-7-14-17(4-2)8-9/h6-8H,3-5H2,1-2H3
InChIKeyLTKJXLWVYKPTPA-UHFFFAOYSA-N
XLogP3.09
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine
CID 116801035
4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
CID 80939932
2-chloro-6-(1-ethylpyrazol-4-yl)oxypyrazine
CID 116801023
4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
[6-(1-ethylpyrazol-4-yl)oxy-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 116806807
N-[[2-(1-ethylpyrazol-4-yl)oxy-6-methyl-4-pyridinyl]methyl]ethanamine
CID 116802886
6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine
CID 116806487
6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine
CID 116805934
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
2-propyl-6-(1-propylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 116800823
1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
CID 114929109

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine (CID 116801019) is 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine is CCCc1nc(Cl)cc(Oc2cnn(CC)c2)n1.
What is the InChIKey of 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine?
The InChIKey is LTKJXLWVYKPTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-5-11-15-10(13)6-12(16-11)18-9-7-14-17(4-2)8-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine?
4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine has a molecular weight of 266.73 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine is sourced from PubChem (CID 116801019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).