4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine

C12H15ClN4O — CID 81342497

IUPAC4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C12H15ClN4O/c1-4-5-9-14-11(13)8(3)12(15-9)18-10-6-7(2)16-17-10/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyRFAUIUZZIZPSJG-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.21
Rot. Bonds4

About 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine

4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine (PubChem CID 81342497) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
PubChem CID81342497
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C12H15ClN4O/c1-4-5-9-14-11(13)8(3)12(15-9)18-10-6-7(2)16-17-10/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyRFAUIUZZIZPSJG-UHFFFAOYSA-N
XLogP3.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766828
4-Chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766830
6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774694
N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774696
N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774697
6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774699
6-(2,5-Dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774704
[6-(2,5-Dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776469
[4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 113602093
[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 113875963
2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine
CID 114562121
N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566564

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine (CID 81342497) is 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(Oc2cc(C)[nH]n2)n1.
What is the InChIKey of 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine?
The InChIKey is RFAUIUZZIZPSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-4-5-9-14-11(13)8(3)12(15-9)18-10-6-7(2)16-17-10/h6H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine?
4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine has a molecular weight of 266.73 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine is sourced from PubChem (CID 81342497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).