4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

C18H26N6O — CID 110271855

IUPAC4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESCc1nc(C2CN(Cc3cnn(C)c3)CCO2)cc(N2CCCC2)n1
InChIInChI=1S/C18H26N6O/c1-14-20-16(9-18(21-14)24-5-3-4-6-24)17-13-23(7-8-25-17)12-15-10-19-22(2)11-15/h9-11,17H,3-8,12-13H2,1-2H3
InChIKeyCKWQDKVGQSSJJL-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.69
Rot. Bonds4

About 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (PubChem CID 110271855) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
PubChem CID110271855
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESCc1nc(C2CN(Cc3cnn(C)c3)CCO2)cc(N2CCCC2)n1
InChIInChI=1S/C18H26N6O/c1-14-20-16(9-18(21-14)24-5-3-4-6-24)17-13-23(7-8-25-17)12-15-10-19-22(2)11-15/h9-11,17H,3-8,12-13H2,1-2H3
InChIKeyCKWQDKVGQSSJJL-UHFFFAOYSA-N
XLogP1.69
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (CID 110271855) is 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is Cc1nc(C2CN(Cc3cnn(C)c3)CCO2)cc(N2CCCC2)n1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The InChIKey is CKWQDKVGQSSJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-20-16(9-18(21-14)24-5-3-4-6-24)17-13-23(7-8-25-17)12-15-10-19-22(2)11-15/h9-11,17H,3-8,12-13H2,1-2H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine has a molecular weight of 342.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 110271855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).