4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

C21H23N5O — CID 156832211

IUPAC4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESC=Cc1nc(N2CCOCC2)cc(-n2nc(-c3cccc(C)c3)cc2C)n1
InChIInChI=1S/C21H23N5O/c1-4-19-22-20(25-8-10-27-11-9-25)14-21(23-19)26-16(3)13-18(24-26)17-7-5-6-15(2)12-17/h4-7,12-14H,1,8-11H2,2-3H3
InChIKeyDIQKPKCIRFZTQU-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.43
Rot. Bonds4

About 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 156832211) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID156832211
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESC=Cc1nc(N2CCOCC2)cc(-n2nc(-c3cccc(C)c3)cc2C)n1
InChIInChI=1S/C21H23N5O/c1-4-19-22-20(25-8-10-27-11-9-25)14-21(23-19)26-16(3)13-18(24-26)17-7-5-6-15(2)12-17/h4-7,12-14H,1,8-11H2,2-3H3
InChIKeyDIQKPKCIRFZTQU-UHFFFAOYSA-N
XLogP3.43
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (CID 156832211) is 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is C=Cc1nc(N2CCOCC2)cc(-n2nc(-c3cccc(C)c3)cc2C)n1.
What is the InChIKey of 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is DIQKPKCIRFZTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-4-19-22-20(25-8-10-27-11-9-25)14-21(23-19)26-16(3)13-18(24-26)17-7-5-6-15(2)12-17/h4-7,12-14H,1,8-11H2,2-3H3.
What are the key properties of 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 361.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156832211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).