5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine

C10H11BrN4O2 — CID 106999377

IUPAC5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine
SMILESCCn1cc(Oc2ncc(Br)c(OC)n2)cn1
InChIInChI=1S/C10H11BrN4O2/c1-3-15-6-7(4-13-15)17-10-12-5-8(11)9(14-10)16-2/h4-6H,3H2,1-2H3
InChIKeyALNQTCNOEGAWAF-UHFFFAOYSA-N
MW299.13 g/mol
LogP2.26
Rot. Bonds4

About 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine

5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine (PubChem CID 106999377) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine
PubChem CID106999377
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine
SMILESCCn1cc(Oc2ncc(Br)c(OC)n2)cn1
InChIInChI=1S/C10H11BrN4O2/c1-3-15-6-7(4-13-15)17-10-12-5-8(11)9(14-10)16-2/h4-6H,3H2,1-2H3
InChIKeyALNQTCNOEGAWAF-UHFFFAOYSA-N
XLogP2.26
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
CID 106999557
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112
N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 116802125
5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 106999154
5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
CID 106999263
4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
CID 116804533
3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
CID 107387714
methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate
CID 106999530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine (CID 106999377) is 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine is CCn1cc(Oc2ncc(Br)c(OC)n2)cn1.
What is the InChIKey of 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine?
The InChIKey is ALNQTCNOEGAWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-3-15-6-7(4-13-15)17-10-12-5-8(11)9(14-10)16-2/h4-6H,3H2,1-2H3.
What are the key properties of 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine?
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine has a molecular weight of 299.13 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine is sourced from PubChem (CID 106999377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).