5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine

C10H14F2N4O — CID 167426523

IUPAC5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
SMILESCO[C@H]1CCN(c2ncc(F)c(N)n2)C[C@H]1F
InChIInChI=1S/C10H14F2N4O/c1-17-8-2-3-16(5-7(8)12)10-14-4-6(11)9(13)15-10/h4,7-8H,2-3,5H2,1H3,(H2,13,14,15)/t7-,8+/m1/s1
InChIKeyFSJRGGDYRBKYKN-SFYZADRCSA-N
MW244.24 g/mol
LogP0.76
Rot. Bonds2

About 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine

5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine (PubChem CID 167426523) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
PubChem CID167426523
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
SMILESCO[C@H]1CCN(c2ncc(F)c(N)n2)C[C@H]1F
InChIInChI=1S/C10H14F2N4O/c1-17-8-2-3-16(5-7(8)12)10-14-4-6(11)9(13)15-10/h4,7-8H,2-3,5H2,1H3,(H2,13,14,15)/t7-,8+/m1/s1
InChIKeyFSJRGGDYRBKYKN-SFYZADRCSA-N
XLogP0.76
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine (CID 167426523) is 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine is CO[C@H]1CCN(c2ncc(F)c(N)n2)C[C@H]1F.
What is the InChIKey of 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
The InChIKey is FSJRGGDYRBKYKN-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-17-8-2-3-16(5-7(8)12)10-14-4-6(11)9(13)15-10/h4,7-8H,2-3,5H2,1H3,(H2,13,14,15)/t7-,8+/m1/s1.
What are the key properties of 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine has a molecular weight of 244.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 167426523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).