4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine

C18H22N4O2 — CID 1480957

IUPAC4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine
SMILESc1ccc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-2-4-15(5-3-1)18-19-16(21-6-10-23-11-7-21)14-17(20-18)22-8-12-24-13-9-22/h1-5,14H,6-13H2
InChIKeyYDIJWELQAKHQPZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.82
Rot. Bonds3

About 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine

4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine (PubChem CID 1480957) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine
PubChem CID1480957
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine
SMILESc1ccc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-2-4-15(5-3-1)18-19-16(21-6-10-23-11-7-21)14-17(20-18)22-8-12-24-13-9-22/h1-5,14H,6-13H2
InChIKeyYDIJWELQAKHQPZ-UHFFFAOYSA-N
XLogP1.82
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.82
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-yl-2-phenylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine (CID 1480957) is 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine is c1ccc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine?
The InChIKey is YDIJWELQAKHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-4-15(5-3-1)18-19-16(21-6-10-23-11-7-21)14-17(20-18)22-8-12-24-13-9-22/h1-5,14H,6-13H2.
What are the key properties of 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine?
4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine has a molecular weight of 326.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 1480957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).