4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine

C14H22N4O — CID 112857082

IUPAC4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCCCCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C14H22N4O/c1-2-4-6-17(5-3-1)13-11-14(16-12-15-13)18-7-9-19-10-8-18/h11-12H,1-10H2
InChIKeyKUYXVJOHDYUQDU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.69
Rot. Bonds2

About 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine

4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 112857082) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine
PubChem CID112857082
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCCCCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C14H22N4O/c1-2-4-6-17(5-3-1)13-11-14(16-12-15-13)18-7-9-19-10-8-18/h11-12H,1-10H2
InChIKeyKUYXVJOHDYUQDU-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine (CID 112857082) is 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine is c1nc(N2CCCCCC2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is KUYXVJOHDYUQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-4-6-17(5-3-1)13-11-14(16-12-15-13)18-7-9-19-10-8-18/h11-12H,1-10H2.
What are the key properties of 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine?
4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 262.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(azepan-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 112857082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).