4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine

C9H10N4S — CID 106973915

IUPAC4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine
SMILESCSc1cc(-n2ccc(C)n2)ncn1
InChIInChI=1S/C9H10N4S/c1-7-3-4-13(12-7)8-5-9(14-2)11-6-10-8/h3-6H,1-2H3
InChIKeyKOURSAGYPBCTTA-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.69
Rot. Bonds2

About 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine

4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine (PubChem CID 106973915) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine
PubChem CID106973915
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine
SMILESCSc1cc(-n2ccc(C)n2)ncn1
InChIInChI=1S/C9H10N4S/c1-7-3-4-13(12-7)8-5-9(14-2)11-6-10-8/h3-6H,1-2H3
InChIKeyKOURSAGYPBCTTA-UHFFFAOYSA-N
XLogP1.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine 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 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine?
The IUPAC name of 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine (CID 106973915) is 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine?
The canonical SMILES for 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine is CSc1cc(-n2ccc(C)n2)ncn1.
What is the InChIKey of 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine?
The InChIKey is KOURSAGYPBCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-7-3-4-13(12-7)8-5-9(14-2)11-6-10-8/h3-6H,1-2H3.
What are the key properties of 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine?
4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine has a molecular weight of 206.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine is sourced from PubChem (CID 106973915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).