6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane

C15H19N5 — CID 116976481

IUPAC6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane
SMILESCC1CNCCN(c2ncc(-c3ccccn3)cn2)C1
InChIInChI=1S/C15H19N5/c1-12-8-16-6-7-20(11-12)15-18-9-13(10-19-15)14-4-2-3-5-17-14/h2-5,9-10,12,16H,6-8,11H2,1H3
InChIKeyRNSYRLCRBCMEHJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.58
Rot. Bonds2

About 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane

6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane (PubChem CID 116976481) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane
PubChem CID116976481
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane
SMILESCC1CNCCN(c2ncc(-c3ccccn3)cn2)C1
InChIInChI=1S/C15H19N5/c1-12-8-16-6-7-20(11-12)15-18-9-13(10-19-15)14-4-2-3-5-17-14/h2-5,9-10,12,16H,6-8,11H2,1H3
InChIKeyRNSYRLCRBCMEHJ-UHFFFAOYSA-N
XLogP1.58
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane?
The IUPAC name of 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane (CID 116976481) is 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane.
What is the SMILES notation for 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane?
The canonical SMILES for 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane is CC1CNCCN(c2ncc(-c3ccccn3)cn2)C1.
What is the InChIKey of 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane?
The InChIKey is RNSYRLCRBCMEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-12-8-16-6-7-20(11-12)15-18-9-13(10-19-15)14-4-2-3-5-17-14/h2-5,9-10,12,16H,6-8,11H2,1H3.
What are the key properties of 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane?
6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane has a molecular weight of 269.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane is sourced from PubChem (CID 116976481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).