2-(1,4-dimethylpyrazol-5-yl)pyrimidine

C9H10N4 — CID 175934335

IUPAC2-(1,4-dimethylpyrazol-5-yl)pyrimidine
SMILESCc1cnn(C)c1-c1ncccn1
InChIInChI=1S/C9H10N4/c1-7-6-12-13(2)8(7)9-10-4-3-5-11-9/h3-6H,1-2H3
InChIKeyBTEKESDYUMREGO-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.19
Rot. Bonds1

About 2-(1,4-dimethylpyrazol-5-yl)pyrimidine

2-(1,4-dimethylpyrazol-5-yl)pyrimidine (PubChem CID 175934335) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-5-yl)pyrimidine
PubChem CID175934335
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-(1,4-dimethylpyrazol-5-yl)pyrimidine
SMILESCc1cnn(C)c1-c1ncccn1
InChIInChI=1S/C9H10N4/c1-7-6-12-13(2)8(7)9-10-4-3-5-11-9/h3-6H,1-2H3
InChIKeyBTEKESDYUMREGO-UHFFFAOYSA-N
XLogP1.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-dimethylpyrazol-5-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)pyrimidine?
The IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)pyrimidine (CID 175934335) is 2-(1,4-dimethylpyrazol-5-yl)pyrimidine.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-5-yl)pyrimidine?
The canonical SMILES for 2-(1,4-dimethylpyrazol-5-yl)pyrimidine is Cc1cnn(C)c1-c1ncccn1.
What is the InChIKey of 2-(1,4-dimethylpyrazol-5-yl)pyrimidine?
The InChIKey is BTEKESDYUMREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-6-12-13(2)8(7)9-10-4-3-5-11-9/h3-6H,1-2H3.
What are the key properties of 2-(1,4-dimethylpyrazol-5-yl)pyrimidine?
2-(1,4-dimethylpyrazol-5-yl)pyrimidine has a molecular weight of 174.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-5-yl)pyrimidine is sourced from PubChem (CID 175934335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).