4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine

C10H11BrN4O — CID 116801148

IUPAC4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine
SMILESCC(C)n1cc(Oc2cc(Br)ncn2)cn1
InChIInChI=1S/C10H11BrN4O/c1-7(2)15-5-8(4-14-15)16-10-3-9(11)12-6-13-10/h3-7H,1-2H3
InChIKeyUEYCEDBXHLZRCD-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.81
Rot. Bonds3

About 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine

4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine (PubChem CID 116801148) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine
PubChem CID116801148
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine
SMILESCC(C)n1cc(Oc2cc(Br)ncn2)cn1
InChIInChI=1S/C10H11BrN4O/c1-7(2)15-5-8(4-14-15)16-10-3-9(11)12-6-13-10/h3-7H,1-2H3
InChIKeyUEYCEDBXHLZRCD-UHFFFAOYSA-N
XLogP2.81
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 114929125
N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 116803068
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893650
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893574
N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 136932356
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549
6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile
CID 116801270
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
5-methoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806629
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800587
4-[5-bromo-2-(bromomethyl)phenoxy]-1-propan-2-ylpyrazole
CID 107089280

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine?
The IUPAC name of 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine (CID 116801148) is 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine.
What is the SMILES notation for 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine?
The canonical SMILES for 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine is CC(C)n1cc(Oc2cc(Br)ncn2)cn1.
What is the InChIKey of 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine?
The InChIKey is UEYCEDBXHLZRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-7(2)15-5-8(4-14-15)16-10-3-9(11)12-6-13-10/h3-7H,1-2H3.
What are the key properties of 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine?
4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine has a molecular weight of 283.13 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine is sourced from PubChem (CID 116801148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).