2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine

C10H12N4O — CID 137434917

IUPAC2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine
SMILESCc1c(Oc2ncccn2)nn(C)c1C
InChIInChI=1S/C10H12N4O/c1-7-8(2)14(3)13-9(7)15-10-11-5-4-6-12-10/h4-6H,1-3H3
InChIKeyXXRFJBHFBSOUEI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.62
Rot. Bonds2

About 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine

2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine (PubChem CID 137434917) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine.

Molecular Properties

Compound Name2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine
PubChem CID137434917
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine
SMILESCc1c(Oc2ncccn2)nn(C)c1C
InChIInChI=1S/C10H12N4O/c1-7-8(2)14(3)13-9(7)15-10-11-5-4-6-12-10/h4-6H,1-3H3
InChIKeyXXRFJBHFBSOUEI-UHFFFAOYSA-N
XLogP1.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine?
The IUPAC name of 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine (CID 137434917) is 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine.
What is the SMILES notation for 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine?
The canonical SMILES for 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine is Cc1c(Oc2ncccn2)nn(C)c1C.
What is the InChIKey of 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine?
The InChIKey is XXRFJBHFBSOUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-8(2)14(3)13-9(7)15-10-11-5-4-6-12-10/h4-6H,1-3H3.
What are the key properties of 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine?
2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine has a molecular weight of 204.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5-trimethylpyrazol-3-yl)oxypyrimidine is sourced from PubChem (CID 137434917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).