4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine

C16H26N4O — CID 72934401

IUPAC4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine
SMILESCc1nc(C)c(C)c(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-12-13(2)17-14(3)18-16(12)20-6-4-15(5-7-20)19-8-10-21-11-9-19/h15H,4-11H2,1-3H3
InChIKeyPORYELAQQOEQSH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.70
Rot. Bonds2

About 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine

4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine (PubChem CID 72934401) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine
PubChem CID72934401
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine
SMILESCc1nc(C)c(C)c(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-12-13(2)17-14(3)18-16(12)20-6-4-15(5-7-20)19-8-10-21-11-9-19/h15H,4-11H2,1-3H3
InChIKeyPORYELAQQOEQSH-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine (CID 72934401) is 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine is Cc1nc(C)c(C)c(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine?
The InChIKey is PORYELAQQOEQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-13(2)17-14(3)18-16(12)20-6-4-15(5-7-20)19-8-10-21-11-9-19/h15H,4-11H2,1-3H3.
What are the key properties of 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine?
4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine has a molecular weight of 290.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 72934401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).