2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine

C11H11ClF3N3O3 — CID 86711749

IUPAC2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
SMILESFC(F)(F)C1COc2c(nc(Cl)nc2N2CCOCC2)O1
InChIInChI=1S/C11H11ClF3N3O3/c12-10-16-8(18-1-3-19-4-2-18)7-9(17-10)21-6(5-20-7)11(13,14)15/h6H,1-5H2
InChIKeyKSAWDKJKHLQUQV-UHFFFAOYSA-N
MW325.67 g/mol
LogP1.67
Rot. Bonds1

About 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine

2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine (PubChem CID 86711749) has the molecular formula C11H11ClF3N3O3 and a molecular weight of 325.67 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
PubChem CID86711749
Molecular FormulaC11H11ClF3N3O3
Molecular Weight325.67 g/mol
Exact Mass325.04
IUPAC Name2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
SMILESFC(F)(F)C1COc2c(nc(Cl)nc2N2CCOCC2)O1
InChIInChI=1S/C11H11ClF3N3O3/c12-10-16-8(18-1-3-19-4-2-18)7-9(17-10)21-6(5-20-7)11(13,14)15/h6H,1-5H2
InChIKeyKSAWDKJKHLQUQV-UHFFFAOYSA-N
XLogP1.67
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.67
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine (CID 86711749) is 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine is FC(F)(F)C1COc2c(nc(Cl)nc2N2CCOCC2)O1.
What is the InChIKey of 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
The InChIKey is KSAWDKJKHLQUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O3/c12-10-16-8(18-1-3-19-4-2-18)7-9(17-10)21-6(5-20-7)11(13,14)15/h6H,1-5H2.
What are the key properties of 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine has a molecular weight of 325.67 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine is sourced from PubChem (CID 86711749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).