(2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol

C8H12FN3O — CID 135138395

IUPAC(2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol
SMILESN[C@H](Cc1ncccn1)[C@@H](O)CF
InChIInChI=1S/C8H12FN3O/c9-5-7(13)6(10)4-8-11-2-1-3-12-8/h1-3,6-7,13H,4-5,10H2/t6-,7+/m1/s1
InChIKeyCOEVKISYZAFUDR-RQJHMYQMSA-N
MW185.20 g/mol
LogP-0.32
Rot. Bonds4

About (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol

(2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol (PubChem CID 135138395) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol
PubChem CID135138395
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name(2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol
SMILESN[C@H](Cc1ncccn1)[C@@H](O)CF
InChIInChI=1S/C8H12FN3O/c9-5-7(13)6(10)4-8-11-2-1-3-12-8/h1-3,6-7,13H,4-5,10H2/t6-,7+/m1/s1
InChIKeyCOEVKISYZAFUDR-RQJHMYQMSA-N
XLogP-0.32
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine
CID 135132893
1-amino-3-pyrimidin-2-ylpropan-2-ol
CID 83442577
(2R)-1-pyrimidin-2-ylpropan-2-amine
CID 95028657
methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate
CID 171618148
3-methyl-4-pyrimidin-2-ylbutan-2-ol
CID 79424538
3-hydroxy-4-pyrimidin-2-ylbutan-2-one
CID 137472987
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
CID 135132665
1-phenyl-2-pyrimidin-2-ylethanamine
CID 63196621
ethane;2-(2-methylpropyl)pyrimidine
CID 169144494
(1-phosphono-2-pyrimidin-2-ylethyl)phosphonic acid
CID 22365324
pyrimidin-2-ylmethanol
CID 2763024
3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol
CID 68631534

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol?
The IUPAC name of (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol (CID 135138395) is (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol is N[C@H](Cc1ncccn1)[C@@H](O)CF.
What is the InChIKey of (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol?
The InChIKey is COEVKISYZAFUDR-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H12FN3O/c9-5-7(13)6(10)4-8-11-2-1-3-12-8/h1-3,6-7,13H,4-5,10H2/t6-,7+/m1/s1.
What are the key properties of (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol?
(2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol has a molecular weight of 185.20 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1-fluoro-4-pyrimidin-2-ylbutan-2-ol is sourced from PubChem (CID 135138395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).