1-(5-propylpyrimidin-2-yl)-1,4-diazepane

C12H20N4 — CID 2796028

IUPAC1-(5-propylpyrimidin-2-yl)-1,4-diazepane
SMILESCCCc1cnc(N2CCCNCC2)nc1
InChIInChI=1S/C12H20N4/c1-2-4-11-9-14-12(15-10-11)16-7-3-5-13-6-8-16/h9-10,13H,2-8H2,1H3
InChIKeyVCYGWMDVJHDLFT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.23
Rot. Bonds3

About 1-(5-propylpyrimidin-2-yl)-1,4-diazepane

1-(5-propylpyrimidin-2-yl)-1,4-diazepane (PubChem CID 2796028) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(5-propylpyrimidin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(5-propylpyrimidin-2-yl)-1,4-diazepane
PubChem CID2796028
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(5-propylpyrimidin-2-yl)-1,4-diazepane
SMILESCCCc1cnc(N2CCCNCC2)nc1
InChIInChI=1S/C12H20N4/c1-2-4-11-9-14-12(15-10-11)16-7-3-5-13-6-8-16/h9-10,13H,2-8H2,1H3
InChIKeyVCYGWMDVJHDLFT-UHFFFAOYSA-N
XLogP1.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propylpyrimidin-2-yl)-1,4-diazepane?
The IUPAC name of 1-(5-propylpyrimidin-2-yl)-1,4-diazepane (CID 2796028) is 1-(5-propylpyrimidin-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(5-propylpyrimidin-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(5-propylpyrimidin-2-yl)-1,4-diazepane is CCCc1cnc(N2CCCNCC2)nc1.
What is the InChIKey of 1-(5-propylpyrimidin-2-yl)-1,4-diazepane?
The InChIKey is VCYGWMDVJHDLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-4-11-9-14-12(15-10-11)16-7-3-5-13-6-8-16/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-(5-propylpyrimidin-2-yl)-1,4-diazepane?
1-(5-propylpyrimidin-2-yl)-1,4-diazepane has a molecular weight of 220.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propylpyrimidin-2-yl)-1,4-diazepane is sourced from PubChem (CID 2796028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).