5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine

C8H11FN4 — CID 71643523

IUPAC5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESFc1cnc(N[C@@H]2CCNC2)nc1
InChIInChI=1S/C8H11FN4/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2,(H,11,12,13)/t7-/m1/s1
InChIKeyONKSYHZKOJXWFP-SSDOTTSWSA-N
MW182.20 g/mol
LogP0.39
Rot. Bonds2

About 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine

5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 71643523) has the molecular formula C8H11FN4 and a molecular weight of 182.20 g/mol. Its IUPAC name is 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID71643523
Molecular FormulaC8H11FN4
Molecular Weight182.20 g/mol
Exact Mass182.10
IUPAC Name5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESFc1cnc(N[C@@H]2CCNC2)nc1
InChIInChI=1S/C8H11FN4/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2,(H,11,12,13)/t7-/m1/s1
InChIKeyONKSYHZKOJXWFP-SSDOTTSWSA-N
XLogP0.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine (CID 71643523) is 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine is Fc1cnc(N[C@@H]2CCNC2)nc1.
What is the InChIKey of 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is ONKSYHZKOJXWFP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11FN4/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2,(H,11,12,13)/t7-/m1/s1.
What are the key properties of 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 182.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71643523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).