4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine

C11H13N5S — CID 53015227

IUPAC4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine
SMILESc1cnn(-c2cc(N3CCSCC3)ncn2)c1
InChIInChI=1S/C11H13N5S/c1-2-14-16(3-1)11-8-10(12-9-13-11)15-4-6-17-7-5-15/h1-3,8-9H,4-7H2
InChIKeyZODJQBDFUQQDSK-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.22
Rot. Bonds2

About 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine

4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine (PubChem CID 53015227) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine
PubChem CID53015227
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine
SMILESc1cnn(-c2cc(N3CCSCC3)ncn2)c1
InChIInChI=1S/C11H13N5S/c1-2-14-16(3-1)11-8-10(12-9-13-11)15-4-6-17-7-5-15/h1-3,8-9H,4-7H2
InChIKeyZODJQBDFUQQDSK-UHFFFAOYSA-N
XLogP1.22
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine 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-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine?
The IUPAC name of 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine (CID 53015227) is 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine is c1cnn(-c2cc(N3CCSCC3)ncn2)c1.
What is the InChIKey of 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine?
The InChIKey is ZODJQBDFUQQDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-2-14-16(3-1)11-8-10(12-9-13-11)15-4-6-17-7-5-15/h1-3,8-9H,4-7H2.
What are the key properties of 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine?
4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine has a molecular weight of 247.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pyrazol-1-ylpyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 53015227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).