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

C11H14N4 — CID 3401968

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C11H14N4/c1-7-5-8(2)13-11(12-7)15-10(4)6-9(3)14-15/h5-6H,1-4H3
InChIKeyHZNGLSIEGWQEIB-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.90
Rot. Bonds1

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

2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine (PubChem CID 3401968) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine
PubChem CID3401968
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C11H14N4/c1-7-5-8(2)13-11(12-7)15-10(4)6-9(3)14-15/h5-6H,1-4H3
InChIKeyHZNGLSIEGWQEIB-UHFFFAOYSA-N
XLogP1.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine (CID 3401968) is 2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine?
The InChIKey is HZNGLSIEGWQEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-7-5-8(2)13-11(12-7)15-10(4)6-9(3)14-15/h5-6H,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine?
2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine has a molecular weight of 202.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 3401968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).