5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine

C9H13FN4 — CID 97165119

IUPAC5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine
SMILESFc1cnc(NC[C@@H]2CCCN2)nc1
InChIInChI=1S/C9H13FN4/c10-7-4-12-9(13-5-7)14-6-8-2-1-3-11-8/h4-5,8,11H,1-3,6H2,(H,12,13,14)/t8-/m0/s1
InChIKeyLHAHJKGBYWDWAA-QMMMGPOBSA-N
MW196.23 g/mol
LogP0.78
Rot. Bonds3

About 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine

5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 97165119) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine
PubChem CID97165119
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine
SMILESFc1cnc(NC[C@@H]2CCCN2)nc1
InChIInChI=1S/C9H13FN4/c10-7-4-12-9(13-5-7)14-6-8-2-1-3-11-8/h4-5,8,11H,1-3,6H2,(H,12,13,14)/t8-/m0/s1
InChIKeyLHAHJKGBYWDWAA-QMMMGPOBSA-N
XLogP0.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine (CID 97165119) is 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine is Fc1cnc(NC[C@@H]2CCCN2)nc1.
What is the InChIKey of 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is LHAHJKGBYWDWAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13FN4/c10-7-4-12-9(13-5-7)14-6-8-2-1-3-11-8/h4-5,8,11H,1-3,6H2,(H,12,13,14)/t8-/m0/s1.
What are the key properties of 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 196.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97165119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).