2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine

C8H6Cl2N4O — CID 130569656

IUPAC2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine
SMILESCn1cc(Oc2cc(Cl)nc(Cl)n2)cn1
InChIInChI=1S/C8H6Cl2N4O/c1-14-4-5(3-11-14)15-7-2-6(9)12-8(10)13-7/h2-4H,1H3
InChIKeyOCQVHUJZECFMCH-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.31
Rot. Bonds2

About 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine

2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine (PubChem CID 130569656) has the molecular formula C8H6Cl2N4O and a molecular weight of 245.07 g/mol. Its IUPAC name is 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine
PubChem CID130569656
Molecular FormulaC8H6Cl2N4O
Molecular Weight245.07 g/mol
Exact Mass243.99
IUPAC Name2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine
SMILESCn1cc(Oc2cc(Cl)nc(Cl)n2)cn1
InChIInChI=1S/C8H6Cl2N4O/c1-14-4-5(3-11-14)15-7-2-6(9)12-8(10)13-7/h2-4H,1H3
InChIKeyOCQVHUJZECFMCH-UHFFFAOYSA-N
XLogP2.31
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine?
The IUPAC name of 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine (CID 130569656) is 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine?
The canonical SMILES for 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine is Cn1cc(Oc2cc(Cl)nc(Cl)n2)cn1.
What is the InChIKey of 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine?
The InChIKey is OCQVHUJZECFMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4O/c1-14-4-5(3-11-14)15-7-2-6(9)12-8(10)13-7/h2-4H,1H3.
What are the key properties of 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine?
2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine has a molecular weight of 245.07 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1-methylpyrazol-4-yl)oxypyrimidine is sourced from PubChem (CID 130569656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).