4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine

C13H17F3N4O2 — CID 56880198

IUPAC4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2cc(N3CCOCC3)ncn2)CCO1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)10-8-20(3-6-22-10)12-7-11(17-9-18-12)19-1-4-21-5-2-19/h7,9-10H,1-6,8H2
InChIKeyGMMKTLPPAVAWKR-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.08
Rot. Bonds2

About 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine

4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56880198) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
PubChem CID56880198
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2cc(N3CCOCC3)ncn2)CCO1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)10-8-20(3-6-22-10)12-7-11(17-9-18-12)19-1-4-21-5-2-19/h7,9-10H,1-6,8H2
InChIKeyGMMKTLPPAVAWKR-UHFFFAOYSA-N
XLogP1.08
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine (CID 56880198) is 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine is FC(F)(F)C1CN(c2cc(N3CCOCC3)ncn2)CCO1.
What is the InChIKey of 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is GMMKTLPPAVAWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c14-13(15,16)10-8-20(3-6-22-10)12-7-11(17-9-18-12)19-1-4-21-5-2-19/h7,9-10H,1-6,8H2.
What are the key properties of 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 318.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56880198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).