5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine

C9H12FN3O — CID 97165130

IUPAC5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine
SMILESFc1cnc(OC[C@H]2CCNC2)nc1
InChIInChI=1S/C9H12FN3O/c10-8-4-12-9(13-5-8)14-6-7-1-2-11-3-7/h4-5,7,11H,1-3,6H2/t7-/m0/s1
InChIKeyXBBJJDLTZUZKIO-ZETCQYMHSA-N
MW197.21 g/mol
LogP0.60
Rot. Bonds3

About 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine

5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine (PubChem CID 97165130) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine
PubChem CID97165130
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine
SMILESFc1cnc(OC[C@H]2CCNC2)nc1
InChIInChI=1S/C9H12FN3O/c10-8-4-12-9(13-5-8)14-6-7-1-2-11-3-7/h4-5,7,11H,1-3,6H2/t7-/m0/s1
InChIKeyXBBJJDLTZUZKIO-ZETCQYMHSA-N
XLogP0.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butoxy-N-tert-butyl-5-fluoropyrimidin-4-amine
CID 164076640
N-ethyl-5-[[methyl-[[(3R)-oxolan-3-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 129623168
5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171359498
N'-[[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]methyl]propane-1,3-diamine
CID 21698008
5-Fluoro-2-(piperidin-4-yloxy)pyrimidine
CID 23133629
2-butoxy-5-fluoro-N-propan-2-ylpyrimidin-4-amine
CID 57818435
2-(Cyclopropylmethoxy)-5-fluoropyrimidin-4-amine
CID 57818567
2-butoxy-N-ethyl-5-fluoropyrimidin-4-amine
CID 57818761
2-butoxy-5-fluoro-N-methylpyrimidin-4-amine
CID 57818907
5-Fluoro-2-(3-methylbutoxy)pyrimidin-4-amine
CID 57819144
5-Fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine
CID 66649936
5-Fluoro-2-pyrrolidin-3-ylpyrimidine
CID 67480028

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine?
The IUPAC name of 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine (CID 97165130) is 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine?
The canonical SMILES for 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine is Fc1cnc(OC[C@H]2CCNC2)nc1.
What is the InChIKey of 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine?
The InChIKey is XBBJJDLTZUZKIO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8-4-12-9(13-5-8)14-6-7-1-2-11-3-7/h4-5,7,11H,1-3,6H2/t7-/m0/s1.
What are the key properties of 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine?
5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine has a molecular weight of 197.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine is sourced from PubChem (CID 97165130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).