1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine

C12H20N4 — CID 62757918

IUPAC1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine
SMILESCCC(N)Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C12H20N4/c1-2-11(13)7-10-8-14-12(15-9-10)16-5-3-4-6-16/h8-9,11H,2-7,13H2,1H3
InChIKeyWGXISAZEEMFRLX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.36
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine

1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine (PubChem CID 62757918) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine
PubChem CID62757918
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine
SMILESCCC(N)Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C12H20N4/c1-2-11(13)7-10-8-14-12(15-9-10)16-5-3-4-6-16/h8-9,11H,2-7,13H2,1H3
InChIKeyWGXISAZEEMFRLX-UHFFFAOYSA-N
XLogP1.36
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine?
The IUPAC name of 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine (CID 62757918) is 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine is CCC(N)Cc1cnc(N2CCCC2)nc1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine?
The InChIKey is WGXISAZEEMFRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-11(13)7-10-8-14-12(15-9-10)16-5-3-4-6-16/h8-9,11H,2-7,13H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine?
1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine is sourced from PubChem (CID 62757918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).