2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine

C11H14N4O — CID 12771928

IUPAC2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine
SMILESCOc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C11H14N4O/c1-7-5-8(2)13-11(12-7)15-10(16-4)6-9(3)14-15/h5-6H,1-4H3
InChIKeyBDCIJTFPYXZZKM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.60
Rot. Bonds2

About 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine

2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine (PubChem CID 12771928) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine
PubChem CID12771928
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine
SMILESCOc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C11H14N4O/c1-7-5-8(2)13-11(12-7)15-10(16-4)6-9(3)14-15/h5-6H,1-4H3
InChIKeyBDCIJTFPYXZZKM-UHFFFAOYSA-N
XLogP1.60
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine (CID 12771928) is 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine is COc1cc(C)nn1-c1nc(C)cc(C)n1.
What is the InChIKey of 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine?
The InChIKey is BDCIJTFPYXZZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-5-8(2)13-11(12-7)15-10(16-4)6-9(3)14-15/h5-6H,1-4H3.
What are the key properties of 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine?
2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine has a molecular weight of 218.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-methylpyrazol-1-yl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 12771928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).