4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine

C15H15N5OS — CID 46961874

IUPAC4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine
SMILESc1csc(-c2[nH]ncc2-c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C15H15N5OS/c1-2-13(22-9-1)14-11(10-17-19-14)12-3-4-16-15(18-12)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyPGZUUTWFMGTTKL-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.43
Rot. Bonds3

About 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine

4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine (PubChem CID 46961874) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine
PubChem CID46961874
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine
SMILESc1csc(-c2[nH]ncc2-c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C15H15N5OS/c1-2-13(22-9-1)14-11(10-17-19-14)12-3-4-16-15(18-12)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyPGZUUTWFMGTTKL-UHFFFAOYSA-N
XLogP2.43
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine (CID 46961874) is 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine is c1csc(-c2[nH]ncc2-c2ccnc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine?
The InChIKey is PGZUUTWFMGTTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-13(22-9-1)14-11(10-17-19-14)12-3-4-16-15(18-12)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2,(H,17,19).
What are the key properties of 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine?
4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine has a molecular weight of 313.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46961874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).