[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine

C9H13FN4 — CID 71644678

IUPAC[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1ncc(F)cn1
InChIInChI=1S/C9H13FN4/c10-7-5-12-9(13-6-7)14-3-1-2-8(14)4-11/h5-6,8H,1-4,11H2
InChIKeyQXXRQCBSJCKJKL-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.54
Rot. Bonds2

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

[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 71644678) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is [1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID71644678
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1ncc(F)cn1
InChIInChI=1S/C9H13FN4/c10-7-5-12-9(13-6-7)14-3-1-2-8(14)4-11/h5-6,8H,1-4,11H2
InChIKeyQXXRQCBSJCKJKL-UHFFFAOYSA-N
XLogP0.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279190
5-fluoro-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 86801747
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 115313331
4-[[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
CID 99714284
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 104606614
[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279108
[1-(5-ethyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279196
[1-(5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 83837791
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine
CID 131071995

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine (CID 71644678) is [1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine is NCC1CCCN1c1ncc(F)cn1.
What is the InChIKey of [1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is QXXRQCBSJCKJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c10-7-5-12-9(13-6-7)14-3-1-2-8(14)4-11/h5-6,8H,1-4,11H2.
What are the key properties of [1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 196.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 71644678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).