4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine

C10H11FN4O — CID 115416214

IUPAC4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine
SMILESCc1nn(C)c(C)c1Oc1cc(F)ncn1
InChIInChI=1S/C10H11FN4O/c1-6-10(7(2)15(3)14-6)16-9-4-8(11)12-5-13-9/h4-5H,1-3H3
InChIKeyNSBXKSPVWARHRA-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.76
Rot. Bonds2

About 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine

4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine (PubChem CID 115416214) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine
PubChem CID115416214
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine
SMILESCc1nn(C)c(C)c1Oc1cc(F)ncn1
InChIInChI=1S/C10H11FN4O/c1-6-10(7(2)15(3)14-6)16-9-4-8(11)12-5-13-9/h4-5H,1-3H3
InChIKeyNSBXKSPVWARHRA-UHFFFAOYSA-N
XLogP1.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine?
The IUPAC name of 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine (CID 115416214) is 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine.
What is the SMILES notation for 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine?
The canonical SMILES for 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine is Cc1nn(C)c(C)c1Oc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine?
The InChIKey is NSBXKSPVWARHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-6-10(7(2)15(3)14-6)16-9-4-8(11)12-5-13-9/h4-5H,1-3H3.
What are the key properties of 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine?
4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine has a molecular weight of 222.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidine is sourced from PubChem (CID 115416214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).