4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine

C19H21N5O — CID 652393

IUPAC4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCc1cc(C)n(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C19H21N5O/c1-14-12-15(2)24(22-14)18-13-17(23-8-10-25-11-9-23)20-19(21-18)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3
InChIKeyJGMQQBRIBRFJKE-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.78
Rot. Bonds3

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

4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 652393) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine
PubChem CID652393
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCc1cc(C)n(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C19H21N5O/c1-14-12-15(2)24(22-14)18-13-17(23-8-10-25-11-9-23)20-19(21-18)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3
InChIKeyJGMQQBRIBRFJKE-UHFFFAOYSA-N
XLogP2.78
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Apy0201
CID 56927660
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069914
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide
CID 25074004
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine (CID 652393) is 4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine is Cc1cc(C)n(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)n1.
What is the InChIKey of 4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is JGMQQBRIBRFJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-12-15(2)24(22-14)18-13-17(23-8-10-25-11-9-23)20-19(21-18)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 335.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 652393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).