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

C10H15FN4O — CID 169200764

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine
SMILESC[C@H]1CN(c2ncc(F)c(N)n2)C[C@H](C)O1
InChIInChI=1S/C10H15FN4O/c1-6-4-15(5-7(2)16-6)10-13-3-8(11)9(12)14-10/h3,6-7H,4-5H2,1-2H3,(H2,12,13,14)/t6-,7-/m0/s1
InChIKeyLHPNQTAEJXIOMU-BQBZGAKWSA-N
MW226.25 g/mol
LogP0.81
Rot. Bonds1

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

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine (PubChem CID 169200764) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine
PubChem CID169200764
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine
SMILESC[C@H]1CN(c2ncc(F)c(N)n2)C[C@H](C)O1
InChIInChI=1S/C10H15FN4O/c1-6-4-15(5-7(2)16-6)10-13-3-8(11)9(12)14-10/h3,6-7H,4-5H2,1-2H3,(H2,12,13,14)/t6-,7-/m0/s1
InChIKeyLHPNQTAEJXIOMU-BQBZGAKWSA-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 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine (CID 169200764) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine is C[C@H]1CN(c2ncc(F)c(N)n2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine?
The InChIKey is LHPNQTAEJXIOMU-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-6-4-15(5-7(2)16-6)10-13-3-8(11)9(12)14-10/h3,6-7H,4-5H2,1-2H3,(H2,12,13,14)/t6-,7-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine?
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-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 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 169200764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).