(3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol

C12H18FN5O2 — CID 164641100

IUPAC(3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol
SMILESNc1cc(N2C[C@H](O)[C@@H](F)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18FN5O2/c13-8-6-18(7-9(8)19)11-5-10(14)15-12(16-11)17-1-3-20-4-2-17/h5,8-9,19H,1-4,6-7H2,(H2,14,15,16)/t8-,9-/m0/s1
InChIKeyOIATZDIZQHKYEU-IUCAKERBSA-N
MW283.31 g/mol
LogP-0.59
Rot. Bonds2

About (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol

(3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol (PubChem CID 164641100) has the molecular formula C12H18FN5O2 and a molecular weight of 283.31 g/mol. Its IUPAC name is (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol
PubChem CID164641100
Molecular FormulaC12H18FN5O2
Molecular Weight283.31 g/mol
Exact Mass283.14
IUPAC Name(3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol
SMILESNc1cc(N2C[C@H](O)[C@@H](F)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18FN5O2/c13-8-6-18(7-9(8)19)11-5-10(14)15-12(16-11)17-1-3-20-4-2-17/h5,8-9,19H,1-4,6-7H2,(H2,14,15,16)/t8-,9-/m0/s1
InChIKeyOIATZDIZQHKYEU-IUCAKERBSA-N
XLogP-0.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol (CID 164641100) is (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol is Nc1cc(N2C[C@H](O)[C@@H](F)C2)nc(N2CCOCC2)n1.
What is the InChIKey of (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol?
The InChIKey is OIATZDIZQHKYEU-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18FN5O2/c13-8-6-18(7-9(8)19)11-5-10(14)15-12(16-11)17-1-3-20-4-2-17/h5,8-9,19H,1-4,6-7H2,(H2,14,15,16)/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol?
(3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol has a molecular weight of 283.31 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 164641100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).