(2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine

C21H25N5O — CID 7647366

IUPAC(2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCc1cc(C)n(-c2cc(N3C[C@@H](C)O[C@@H](C)C3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C21H25N5O/c1-14-10-15(2)26(24-14)20-11-19(25-12-16(3)27-17(4)13-25)22-21(23-20)18-8-6-5-7-9-18/h5-11,16-17H,12-13H2,1-4H3/t16-,17+
InChIKeyXBJDAUWGUXZRDP-CALCHBBNSA-N
MW363.47 g/mol
LogP3.56
Rot. Bonds3

About (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine

(2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 7647366) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine
PubChem CID7647366
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCc1cc(C)n(-c2cc(N3C[C@@H](C)O[C@@H](C)C3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C21H25N5O/c1-14-10-15(2)26(24-14)20-11-19(25-12-16(3)27-17(4)13-25)22-21(23-20)18-8-6-5-7-9-18/h5-11,16-17H,12-13H2,1-4H3/t16-,17+
InChIKeyXBJDAUWGUXZRDP-CALCHBBNSA-N
XLogP3.56
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

Apy0201
CID 56927660
4-(3-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1950294
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
3-Phenyl-6-(4-morpholinyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 1505512
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholin-4-yl)pyridin-4-yl]pyrimidin-4-yl]acetamide
CID 25138085
Pyrazolo[1,5-a]-1,3,5-triazine, 13-3
CID 42618209
Pyrazolo[1,5-a]-1,3,5-triazine, 13-4
CID 42618210
Pyrazolo[1,5-a]-1,3,5-triazine, 13-5
CID 42618211
Pyrazolo[1,5-a]-1,3,5-triazine, 13-6
CID 42618212
Pyrazolo[1,5-a]-1,3,5-triazine, 13-7
CID 42618213

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine (CID 7647366) is (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine is Cc1cc(C)n(-c2cc(N3C[C@@H](C)O[C@@H](C)C3)nc(-c3ccccc3)n2)n1.
What is the InChIKey of (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is XBJDAUWGUXZRDP-CALCHBBNSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-10-15(2)26(24-14)20-11-19(25-12-16(3)27-17(4)13-25)22-21(23-20)18-8-6-5-7-9-18/h5-11,16-17H,12-13H2,1-4H3/t16-,17+.
What are the key properties of (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 363.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 7647366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).