6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane

C15H19N5O — CID 118740091

IUPAC6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane
SMILESCc1nccc(CC2COCCN(c3cnccn3)C2)n1
InChIInChI=1S/C15H19N5O/c1-12-17-3-2-14(19-12)8-13-10-20(6-7-21-11-13)15-9-16-4-5-18-15/h2-5,9,13H,6-8,10-11H2,1H3
InChIKeyMPEMSWZIQFUHHB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.27
Rot. Bonds3

About 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane

6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane (PubChem CID 118740091) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane
PubChem CID118740091
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane
SMILESCc1nccc(CC2COCCN(c3cnccn3)C2)n1
InChIInChI=1S/C15H19N5O/c1-12-17-3-2-14(19-12)8-13-10-20(6-7-21-11-13)15-9-16-4-5-18-15/h2-5,9,13H,6-8,10-11H2,1H3
InChIKeyMPEMSWZIQFUHHB-UHFFFAOYSA-N
XLogP1.27
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane?
The IUPAC name of 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane (CID 118740091) is 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane.
What is the SMILES notation for 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane?
The canonical SMILES for 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane is Cc1nccc(CC2COCCN(c3cnccn3)C2)n1.
What is the InChIKey of 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane?
The InChIKey is MPEMSWZIQFUHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12-17-3-2-14(19-12)8-13-10-20(6-7-21-11-13)15-9-16-4-5-18-15/h2-5,9,13H,6-8,10-11H2,1H3.
What are the key properties of 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane?
6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane has a molecular weight of 285.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrazin-2-yl-1,4-oxazepane is sourced from PubChem (CID 118740091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).