4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine

C16H22N6S — CID 99798115

IUPAC4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine
SMILESc1cnn(C2CCN(c3cc(N4CCSCC4)ncn3)CC2)c1
InChIInChI=1S/C16H22N6S/c1-4-19-22(5-1)14-2-6-20(7-3-14)15-12-16(18-13-17-15)21-8-10-23-11-9-21/h1,4-5,12-14H,2-3,6-11H2
InChIKeyUCPAHCNILHWHKH-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.07
Rot. Bonds3

About 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine

4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine (PubChem CID 99798115) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine
PubChem CID99798115
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC Name4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine
SMILESc1cnn(C2CCN(c3cc(N4CCSCC4)ncn3)CC2)c1
InChIInChI=1S/C16H22N6S/c1-4-19-22(5-1)14-2-6-20(7-3-14)15-12-16(18-13-17-15)21-8-10-23-11-9-21/h1,4-5,12-14H,2-3,6-11H2
InChIKeyUCPAHCNILHWHKH-UHFFFAOYSA-N
XLogP2.07
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-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

Related Compounds

[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 95763979
6-thiomorpholin-4-ylpyrimidin-4-amine
CID 13394191
4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974337
5-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798763
3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 110454729
4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine
CID 56857071
1-cyclopentylpyrazole
CID 10844435
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946437
N-[(2R,3R)-2-phenyloxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 129479485
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418
4-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060202
4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine
CID 100651914

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine?
The IUPAC name of 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine (CID 99798115) is 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine is c1cnn(C2CCN(c3cc(N4CCSCC4)ncn3)CC2)c1.
What is the InChIKey of 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine?
The InChIKey is UCPAHCNILHWHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-4-19-22(5-1)14-2-6-20(7-3-14)15-12-16(18-13-17-15)21-8-10-23-11-9-21/h1,4-5,12-14H,2-3,6-11H2.
What are the key properties of 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine?
4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine has a molecular weight of 330.46 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]thiomorpholine is sourced from PubChem (CID 99798115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).