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

C10H15FN4O — CID 104961834

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine
SMILESC[C@@H]1CN(c2nc(N)ncc2F)C[C@H](C)O1
InChIInChI=1S/C10H15FN4O/c1-6-4-15(5-7(2)16-6)9-8(11)3-13-10(12)14-9/h3,6-7H,4-5H2,1-2H3,(H2,12,13,14)/t6-,7+
InChIKeyKXBHKHGVAMZSJT-KNVOCYPGSA-N
MW226.25 g/mol
LogP0.81
Rot. Bonds1

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

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine (PubChem CID 104961834) 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]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine
PubChem CID104961834
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine
SMILESC[C@@H]1CN(c2nc(N)ncc2F)C[C@H](C)O1
InChIInChI=1S/C10H15FN4O/c1-6-4-15(5-7(2)16-6)9-8(11)3-13-10(12)14-9/h3,6-7H,4-5H2,1-2H3,(H2,12,13,14)/t6-,7+
InChIKeyKXBHKHGVAMZSJT-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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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)-5-fluoropyrimidin-2-amine
CID 80848953
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine
CID 131113510
(2S,6R)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2,6-dimethylmorpholine
CID 129240689
(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774991
[4-(2-amino-5-fluoropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782748
4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine
CID 80833954
(2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
CID 176666417
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluoropyrimidin-2-amine
CID 80831677
4-(4,4-dimethylazepan-1-yl)-5-fluoropyrimidin-2-amine
CID 80842364
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-amine
CID 77459584

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine (CID 104961834) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine is C[C@@H]1CN(c2nc(N)ncc2F)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is KXBHKHGVAMZSJT-KNVOCYPGSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-6-4-15(5-7(2)16-6)9-8(11)3-13-10(12)14-9/h3,6-7H,4-5H2,1-2H3,(H2,12,13,14)/t6-,7+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-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]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 104961834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).