2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine

C10H15FN4 — CID 114802329

IUPAC2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4/c11-9-5-13-10(14-6-9)15-4-2-8(7-15)1-3-12/h5-6,8H,1-4,7,12H2
InChIKeyBHBRZMFKIKNMAG-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.79
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine

2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 114802329) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
PubChem CID114802329
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4/c11-9-5-13-10(14-6-9)15-4-2-8(7-15)1-3-12/h5-6,8H,1-4,7,12H2
InChIKeyBHBRZMFKIKNMAG-UHFFFAOYSA-N
XLogP0.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
CID 126856400
2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 112676170
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 104606397
[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 154736534
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 104606421
(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 134700702
2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114802391
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine (CID 114802329) is 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine is NCCC1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is BHBRZMFKIKNMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c11-9-5-13-10(14-6-9)15-4-2-8(7-15)1-3-12/h5-6,8H,1-4,7,12H2.
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine?
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 210.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).