4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine

C10H15FN4O — CID 165350631

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine
SMILESC[C@@H]1CN(c2nc(F)ncc2N)C[C@H](C)O1
InChIInChI=1S/C10H15FN4O/c1-6-4-15(5-7(2)16-6)9-8(12)3-13-10(11)14-9/h3,6-7H,4-5,12H2,1-2H3/t6-,7+
InChIKeyPBYVZXJXTYUYPF-KNVOCYPGSA-N
MW226.25 g/mol
LogP0.81
Rot. Bonds1

About 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine (PubChem CID 165350631) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine
PubChem CID165350631
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine
SMILESC[C@@H]1CN(c2nc(F)ncc2N)C[C@H](C)O1
InChIInChI=1S/C10H15FN4O/c1-6-4-15(5-7(2)16-6)9-8(12)3-13-10(11)14-9/h3,6-7H,4-5,12H2,1-2H3/t6-,7+
InChIKeyPBYVZXJXTYUYPF-KNVOCYPGSA-N
XLogP0.81
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine (CID 165350631) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine is C[C@@H]1CN(c2nc(F)ncc2N)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine?
The InChIKey is PBYVZXJXTYUYPF-KNVOCYPGSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-6-4-15(5-7(2)16-6)9-8(12)3-13-10(11)14-9/h3,6-7H,4-5,12H2,1-2H3/t6-,7+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine has a molecular weight of 226.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine is sourced from PubChem (CID 165350631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).