4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine

C12H16FN5O — CID 81345942

IUPAC4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2cc(C)nn2C)n1
InChIInChI=1S/C12H16FN5O/c1-4-5-14-12-15-7-9(13)11(16-12)19-10-6-8(2)17-18(10)3/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyGOUMEEKTSKBKOD-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.27
Rot. Bonds5

About 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine

4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 81345942) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID81345942
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2cc(C)nn2C)n1
InChIInChI=1S/C12H16FN5O/c1-4-5-14-12-15-7-9(13)11(16-12)19-10-6-8(2)17-18(10)3/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyGOUMEEKTSKBKOD-UHFFFAOYSA-N
XLogP2.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine (CID 81345942) is 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Oc2cc(C)nn2C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is GOUMEEKTSKBKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-4-5-14-12-15-7-9(13)11(16-12)19-10-6-8(2)17-18(10)3/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine?
4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 265.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 81345942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).