5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine

C11H16FN3 — CID 169304038

IUPAC5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine
SMILESCC(C)[C@H]1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H16FN3/c1-8(2)9-3-4-15(7-9)11-13-5-10(12)6-14-11/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyUFCQJRXIUFXZDD-VIFPVBQESA-N
MW209.27 g/mol
LogP2.10
Rot. Bonds2

About 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine

5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine (PubChem CID 169304038) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine
PubChem CID169304038
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine
SMILESCC(C)[C@H]1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H16FN3/c1-8(2)9-3-4-15(7-9)11-13-5-10(12)6-14-11/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyUFCQJRXIUFXZDD-VIFPVBQESA-N
XLogP2.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine (CID 169304038) is 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine is CC(C)[C@H]1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine?
The InChIKey is UFCQJRXIUFXZDD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16FN3/c1-8(2)9-3-4-15(7-9)11-13-5-10(12)6-14-11/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine?
5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine has a molecular weight of 209.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 169304038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).