4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine

C17H20N4O — CID 56861201

IUPAC4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine
SMILESc1cc2c(c(-c3cc(N4CCOCC4)ncn3)c1)CCNC2
InChIInChI=1S/C17H20N4O/c1-2-13-11-18-5-4-14(13)15(3-1)16-10-17(20-12-19-16)21-6-8-22-9-7-21/h1-3,10,12,18H,4-9,11H2
InChIKeyABIGEEAAJOLBPG-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.63
Rot. Bonds2

About 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine

4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine (PubChem CID 56861201) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine
PubChem CID56861201
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine
SMILESc1cc2c(c(-c3cc(N4CCOCC4)ncn3)c1)CCNC2
InChIInChI=1S/C17H20N4O/c1-2-13-11-18-5-4-14(13)15(3-1)16-10-17(20-12-19-16)21-6-8-22-9-7-21/h1-3,10,12,18H,4-9,11H2
InChIKeyABIGEEAAJOLBPG-UHFFFAOYSA-N
XLogP1.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine (CID 56861201) is 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine is c1cc2c(c(-c3cc(N4CCOCC4)ncn3)c1)CCNC2.
What is the InChIKey of 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine?
The InChIKey is ABIGEEAAJOLBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-13-11-18-5-4-14(13)15(3-1)16-10-17(20-12-19-16)21-6-8-22-9-7-21/h1-3,10,12,18H,4-9,11H2.
What are the key properties of 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine?
4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine has a molecular weight of 296.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56861201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).