(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine

C9H14FN3 — CID 135132893

IUPAC(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine
SMILESCC[C@@H](F)[C@H](N)Cc1ncccn1
InChIInChI=1S/C9H14FN3/c1-2-7(10)8(11)6-9-12-4-3-5-13-9/h3-5,7-8H,2,6,11H2,1H3/t7-,8-/m1/s1
InChIKeyJONJHVYHYBTBQE-HTQZYQBOSA-N
MW183.23 g/mol
LogP1.09
Rot. Bonds4

About (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine

(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine (PubChem CID 135132893) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine
PubChem CID135132893
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine
SMILESCC[C@@H](F)[C@H](N)Cc1ncccn1
InChIInChI=1S/C9H14FN3/c1-2-7(10)8(11)6-9-12-4-3-5-13-9/h3-5,7-8H,2,6,11H2,1H3/t7-,8-/m1/s1
InChIKeyJONJHVYHYBTBQE-HTQZYQBOSA-N
XLogP1.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine?
The IUPAC name of (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine (CID 135132893) is (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine.
What is the SMILES notation for (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine?
The canonical SMILES for (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine is CC[C@@H](F)[C@H](N)Cc1ncccn1.
What is the InChIKey of (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine?
The InChIKey is JONJHVYHYBTBQE-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14FN3/c1-2-7(10)8(11)6-9-12-4-3-5-13-9/h3-5,7-8H,2,6,11H2,1H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine?
(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine has a molecular weight of 183.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine is sourced from PubChem (CID 135132893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).