1-(4-methoxypyrimidin-2-yl)-1,4-diazepane

C10H16N4O — CID 16777398

IUPAC1-(4-methoxypyrimidin-2-yl)-1,4-diazepane
SMILESCOc1ccnc(N2CCCNCC2)n1
InChIInChI=1S/C10H16N4O/c1-15-9-3-5-12-10(13-9)14-7-2-4-11-6-8-14/h3,5,11H,2,4,6-8H2,1H3
InChIKeyUNNMAGOIVGASDQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.28
Rot. Bonds2

About 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane

1-(4-methoxypyrimidin-2-yl)-1,4-diazepane (PubChem CID 16777398) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-1,4-diazepane
PubChem CID16777398
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(4-methoxypyrimidin-2-yl)-1,4-diazepane
SMILESCOc1ccnc(N2CCCNCC2)n1
InChIInChI=1S/C10H16N4O/c1-15-9-3-5-12-10(13-9)14-7-2-4-11-6-8-14/h3,5,11H,2,4,6-8H2,1H3
InChIKeyUNNMAGOIVGASDQ-UHFFFAOYSA-N
XLogP0.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane (CID 16777398) is 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane is COc1ccnc(N2CCCNCC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane?
The InChIKey is UNNMAGOIVGASDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-9-3-5-12-10(13-9)14-7-2-4-11-6-8-14/h3,5,11H,2,4,6-8H2,1H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane?
1-(4-methoxypyrimidin-2-yl)-1,4-diazepane has a molecular weight of 208.26 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-1,4-diazepane is sourced from PubChem (CID 16777398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).