[(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol

C12H15FN4O — CID 154745393

IUPAC[(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1cn2cccnc2n1
InChIInChI=1S/C12H15FN4O/c13-9-4-11(8-18)17(5-9)7-10-6-16-3-1-2-14-12(16)15-10/h1-3,6,9,11,18H,4-5,7-8H2/t9-,11-/m0/s1
InChIKeyPKYLWBONGAPWNB-ONGXEEELSA-N
MW250.28 g/mol
LogP0.63
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 154745393) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID154745393
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name[(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1cn2cccnc2n1
InChIInChI=1S/C12H15FN4O/c13-9-4-11(8-18)17(5-9)7-10-6-16-3-1-2-14-12(16)15-10/h1-3,6,9,11,18H,4-5,7-8H2/t9-,11-/m0/s1
InChIKeyPKYLWBONGAPWNB-ONGXEEELSA-N
XLogP0.63
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 154745393) is [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1Cc1cn2cccnc2n1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is PKYLWBONGAPWNB-ONGXEEELSA-N. The full InChI is InChI=1S/C12H15FN4O/c13-9-4-11(8-18)17(5-9)7-10-6-16-3-1-2-14-12(16)15-10/h1-3,6,9,11,18H,4-5,7-8H2/t9-,11-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 250.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 154745393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).