4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine

C9H10ClN5O — CID 116800284

IUPAC4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine
SMILESCCn1cc(Oc2ncnc(Cl)c2N)cn1
InChIInChI=1S/C9H10ClN5O/c1-2-15-4-6(3-14-15)16-9-7(11)8(10)12-5-13-9/h3-5H,2,11H2,1H3
InChIKeyRKUDVBITUDMPGZ-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.72
Rot. Bonds3

About 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine

4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine (PubChem CID 116800284) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine
PubChem CID116800284
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine
SMILESCCn1cc(Oc2ncnc(Cl)c2N)cn1
InChIInChI=1S/C9H10ClN5O/c1-2-15-4-6(3-14-15)16-9-7(11)8(10)12-5-13-9/h3-5H,2,11H2,1H3
InChIKeyRKUDVBITUDMPGZ-UHFFFAOYSA-N
XLogP1.72
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-ethyl-6-(1-ethylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806797
5-amino-6-(1-ethylpyrazol-4-yl)oxypyridine-3-carbonitrile
CID 103469812
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806063
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800587
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
4-methyl-2-(1-propylpyrazol-4-yl)oxypyridin-3-amine
CID 116800363
4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine
CID 63022073
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112
2-chloro-6-(1-ethylpyrazol-4-yl)oxypyrazine
CID 116801023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine (CID 116800284) is 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine is CCn1cc(Oc2ncnc(Cl)c2N)cn1.
What is the InChIKey of 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine?
The InChIKey is RKUDVBITUDMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-2-15-4-6(3-14-15)16-9-7(11)8(10)12-5-13-9/h3-5H,2,11H2,1H3.
What are the key properties of 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine?
4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine has a molecular weight of 239.67 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine is sourced from PubChem (CID 116800284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).