4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine

C21H25N5O2 — CID 166631388

IUPAC4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine
SMILESCc1ccnn1CCCOc1cc(N2CCOC(c3ccccc3)C2)ncn1
InChIInChI=1S/C21H25N5O2/c1-17-8-9-24-26(17)10-5-12-28-21-14-20(22-16-23-21)25-11-13-27-19(15-25)18-6-3-2-4-7-18/h2-4,6-9,14,16,19H,5,10-13,15H2,1H3
InChIKeyMKQINUTWQAXTDS-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.03
Rot. Bonds7

About 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine

4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine (PubChem CID 166631388) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine
PubChem CID166631388
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine
SMILESCc1ccnn1CCCOc1cc(N2CCOC(c3ccccc3)C2)ncn1
InChIInChI=1S/C21H25N5O2/c1-17-8-9-24-26(17)10-5-12-28-21-14-20(22-16-23-21)25-11-13-27-19(15-25)18-6-3-2-4-7-18/h2-4,6-9,14,16,19H,5,10-13,15H2,1H3
InChIKeyMKQINUTWQAXTDS-UHFFFAOYSA-N
XLogP3.03
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
Methyl substituted pyrazole, 28
CID 23648676
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71272262
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272653
4-[5-(2-methoxyethoxy)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 6539449
Pyrazolo[1,5-a]-1,3,5-triazine, 13-11
CID 42618217
dorsomorphin (91E)
CID 50997746
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
(2-{4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]phenoxy}ethyl)dimethylamine
CID 91574694
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-methylpiperidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide
CID 44589945

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine?
The IUPAC name of 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine (CID 166631388) is 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine.
What is the SMILES notation for 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine?
The canonical SMILES for 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine is Cc1ccnn1CCCOc1cc(N2CCOC(c3ccccc3)C2)ncn1.
What is the InChIKey of 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine?
The InChIKey is MKQINUTWQAXTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-17-8-9-24-26(17)10-5-12-28-21-14-20(22-16-23-21)25-11-13-27-19(15-25)18-6-3-2-4-7-18/h2-4,6-9,14,16,19H,5,10-13,15H2,1H3.
What are the key properties of 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine?
4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine has a molecular weight of 379.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine is sourced from PubChem (CID 166631388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).