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

C9H13FN2O — CID 145217503

IUPAC(2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol
SMILESC[C@H](Cc1ncccn1)[C@H](F)CO
InChIInChI=1S/C9H13FN2O/c1-7(8(10)6-13)5-9-11-3-2-4-12-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyKWQUALQDIPKHMX-HTQZYQBOSA-N
MW184.21 g/mol
LogP0.99
Rot. Bonds4

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

(2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol (PubChem CID 145217503) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol.

Molecular Properties

Compound Name(2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol
PubChem CID145217503
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol
SMILESC[C@H](Cc1ncccn1)[C@H](F)CO
InChIInChI=1S/C9H13FN2O/c1-7(8(10)6-13)5-9-11-3-2-4-12-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyKWQUALQDIPKHMX-HTQZYQBOSA-N
XLogP0.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol?
The IUPAC name of (2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol (CID 145217503) is (2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol.
What is the SMILES notation for (2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol?
The canonical SMILES for (2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol is C[C@H](Cc1ncccn1)[C@H](F)CO.
What is the InChIKey of (2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol?
The InChIKey is KWQUALQDIPKHMX-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(8(10)6-13)5-9-11-3-2-4-12-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol?
(2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol has a molecular weight of 184.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol is sourced from PubChem (CID 145217503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).