5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine

C11H16FN3O2 — CID 128978429

IUPAC5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOC[C@@H]1C[C@H](OC)CN1c1ncc(F)cn1
InChIInChI=1S/C11H16FN3O2/c1-16-7-9-3-10(17-2)6-15(9)11-13-4-8(12)5-14-11/h4-5,9-10H,3,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyOMWNFOPGLDDWDQ-UWVGGRQHSA-N
MW241.27 g/mol
LogP0.86
Rot. Bonds4

About 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine

5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 128978429) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID128978429
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOC[C@@H]1C[C@H](OC)CN1c1ncc(F)cn1
InChIInChI=1S/C11H16FN3O2/c1-16-7-9-3-10(17-2)6-15(9)11-13-4-8(12)5-14-11/h4-5,9-10H,3,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyOMWNFOPGLDDWDQ-UWVGGRQHSA-N
XLogP0.86
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine (CID 128978429) is 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine is COC[C@@H]1C[C@H](OC)CN1c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is OMWNFOPGLDDWDQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-16-7-9-3-10(17-2)6-15(9)11-13-4-8(12)5-14-11/h4-5,9-10H,3,6-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 241.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 128978429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).