1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane

C16H26N4 — CID 56722811

IUPAC1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane
SMILESCc1nc(C2CCNCC2)cc(N2CCCCCC2)n1
InChIInChI=1S/C16H26N4/c1-13-18-15(14-6-8-17-9-7-14)12-16(19-13)20-10-4-2-3-5-11-20/h12,14,17H,2-11H2,1H3
InChIKeyUOAWGPYCKRYSKC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.63
Rot. Bonds2

About 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane

1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane (PubChem CID 56722811) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane.

Molecular Properties

Compound Name1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane
PubChem CID56722811
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane
SMILESCc1nc(C2CCNCC2)cc(N2CCCCCC2)n1
InChIInChI=1S/C16H26N4/c1-13-18-15(14-6-8-17-9-7-14)12-16(19-13)20-10-4-2-3-5-11-20/h12,14,17H,2-11H2,1H3
InChIKeyUOAWGPYCKRYSKC-UHFFFAOYSA-N
XLogP2.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane?
The IUPAC name of 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane (CID 56722811) is 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane.
What is the SMILES notation for 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane?
The canonical SMILES for 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane is Cc1nc(C2CCNCC2)cc(N2CCCCCC2)n1.
What is the InChIKey of 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane?
The InChIKey is UOAWGPYCKRYSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-18-15(14-6-8-17-9-7-14)12-16(19-13)20-10-4-2-3-5-11-20/h12,14,17H,2-11H2,1H3.
What are the key properties of 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane?
1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane has a molecular weight of 274.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)azepane is sourced from PubChem (CID 56722811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).