4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine

C13H17N5S — CID 46985323

IUPAC4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine
SMILESCc1nn(C)cc1-c1ccnc(N2CCSCC2)n1
InChIInChI=1S/C13H17N5S/c1-10-11(9-17(2)16-10)12-3-4-14-13(15-12)18-5-7-19-8-6-18/h3-4,9H,5-8H2,1-2H3
InChIKeyCLMHRLYNQXEQEZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.74
Rot. Bonds2

About 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine

4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine (PubChem CID 46985323) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine
PubChem CID46985323
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine
SMILESCc1nn(C)cc1-c1ccnc(N2CCSCC2)n1
InChIInChI=1S/C13H17N5S/c1-10-11(9-17(2)16-10)12-3-4-14-13(15-12)18-5-7-19-8-6-18/h3-4,9H,5-8H2,1-2H3
InChIKeyCLMHRLYNQXEQEZ-UHFFFAOYSA-N
XLogP1.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine?
The IUPAC name of 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine (CID 46985323) is 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine.
What is the SMILES notation for 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine?
The canonical SMILES for 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine is Cc1nn(C)cc1-c1ccnc(N2CCSCC2)n1.
What is the InChIKey of 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine?
The InChIKey is CLMHRLYNQXEQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-10-11(9-17(2)16-10)12-3-4-14-13(15-12)18-5-7-19-8-6-18/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine?
4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine has a molecular weight of 275.38 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]thiomorpholine is sourced from PubChem (CID 46985323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).