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

C16H20F3N5O2 — CID 166627387

IUPAC4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESCc1ccnn1CCCOc1cc(N2CCOC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C16H20F3N5O2/c1-12-3-4-22-24(12)5-2-7-26-15-9-14(20-11-21-15)23-6-8-25-13(10-23)16(17,18)19/h3-4,9,11,13H,2,5-8,10H2,1H3
InChIKeyPZEFDHPQJZSULH-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.22
Rot. Bonds6

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

4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine (PubChem CID 166627387) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
PubChem CID166627387
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESCc1ccnn1CCCOc1cc(N2CCOC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C16H20F3N5O2/c1-12-3-4-22-24(12)5-2-7-26-15-9-14(20-11-21-15)23-6-8-25-13(10-23)16(17,18)19/h3-4,9,11,13H,2,5-8,10H2,1H3
InChIKeyPZEFDHPQJZSULH-UHFFFAOYSA-N
XLogP2.22
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine (CID 166627387) is 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine is Cc1ccnn1CCCOc1cc(N2CCOC(C(F)(F)F)C2)ncn1.
What is the InChIKey of 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
The InChIKey is PZEFDHPQJZSULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-12-3-4-22-24(12)5-2-7-26-15-9-14(20-11-21-15)23-6-8-25-13(10-23)16(17,18)19/h3-4,9,11,13H,2,5-8,10H2,1H3.
What are the key properties of 4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine?
4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine has a molecular weight of 371.36 g/mol, XLogP of 2.22, 6 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-(trifluoromethyl)morpholine is sourced from PubChem (CID 166627387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).