2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine

C12H18FN3 — CID 141343902

IUPAC2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine
SMILESCc1nc([C@@H]2C[C@@H](F)CN2)ncc1C(C)C
InChIInChI=1S/C12H18FN3/c1-7(2)10-6-15-12(16-8(10)3)11-4-9(13)5-14-11/h6-7,9,11,14H,4-5H2,1-3H3/t9-,11+/m1/s1
InChIKeyMWOJBPPLJKNZIN-KOLCDFICSA-N
MW223.29 g/mol
LogP2.28
Rot. Bonds2

About 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine

2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine (PubChem CID 141343902) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine
PubChem CID141343902
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine
SMILESCc1nc([C@@H]2C[C@@H](F)CN2)ncc1C(C)C
InChIInChI=1S/C12H18FN3/c1-7(2)10-6-15-12(16-8(10)3)11-4-9(13)5-14-11/h6-7,9,11,14H,4-5H2,1-3H3/t9-,11+/m1/s1
InChIKeyMWOJBPPLJKNZIN-KOLCDFICSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine?
The IUPAC name of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine (CID 141343902) is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine is Cc1nc([C@@H]2C[C@@H](F)CN2)ncc1C(C)C.
What is the InChIKey of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine?
The InChIKey is MWOJBPPLJKNZIN-KOLCDFICSA-N. The full InChI is InChI=1S/C12H18FN3/c1-7(2)10-6-15-12(16-8(10)3)11-4-9(13)5-14-11/h6-7,9,11,14H,4-5H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine?
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine has a molecular weight of 223.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-4-methyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 141343902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).