[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone

C11H16N4O — CID 102922928

IUPAC[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESNCCC1CCN(C(=O)c2cncnc2)C1
InChIInChI=1S/C11H16N4O/c12-3-1-9-2-4-15(7-9)11(16)10-5-13-8-14-6-10/h5-6,8-9H,1-4,7,12H2
InChIKeySFJOIIPVDGUNSA-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.29
Rot. Bonds3

About [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone

[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 102922928) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID102922928
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESNCCC1CCN(C(=O)c2cncnc2)C1
InChIInChI=1S/C11H16N4O/c12-3-1-9-2-4-15(7-9)11(16)10-5-13-8-14-6-10/h5-6,8-9H,1-4,7,12H2
InChIKeySFJOIIPVDGUNSA-UHFFFAOYSA-N
XLogP0.29
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 114802166
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706427
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120727734
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 114802115
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone (CID 102922928) is [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone is NCCC1CCN(C(=O)c2cncnc2)C1.
What is the InChIKey of [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is SFJOIIPVDGUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-3-1-9-2-4-15(7-9)11(16)10-5-13-8-14-6-10/h5-6,8-9H,1-4,7,12H2.
What are the key properties of [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 220.28 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 102922928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).