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

C11H17FN4O — CID 156538103

IUPAC2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine
SMILESCO[C@@H]1CCN(c2nccc(N)n2)C[C@]1(C)F
InChIInChI=1S/C11H17FN4O/c1-11(12)7-16(6-4-8(11)17-2)10-14-5-3-9(13)15-10/h3,5,8H,4,6-7H2,1-2H3,(H2,13,14,15)/t8-,11+/m1/s1
InChIKeyCPQOFHGOTYSZEG-KCJUWKMLSA-N
MW240.28 g/mol
LogP1.01
Rot. Bonds2

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

2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine (PubChem CID 156538103) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine
PubChem CID156538103
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine
SMILESCO[C@@H]1CCN(c2nccc(N)n2)C[C@]1(C)F
InChIInChI=1S/C11H17FN4O/c1-11(12)7-16(6-4-8(11)17-2)10-14-5-3-9(13)15-10/h3,5,8H,4,6-7H2,1-2H3,(H2,13,14,15)/t8-,11+/m1/s1
InChIKeyCPQOFHGOTYSZEG-KCJUWKMLSA-N
XLogP1.01
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine (CID 156538103) is 2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine is CO[C@@H]1CCN(c2nccc(N)n2)C[C@]1(C)F.
What is the InChIKey of 2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine?
The InChIKey is CPQOFHGOTYSZEG-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-11(12)7-16(6-4-8(11)17-2)10-14-5-3-9(13)15-10/h3,5,8H,4,6-7H2,1-2H3,(H2,13,14,15)/t8-,11+/m1/s1.
What are the key properties of 2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine?
2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine has a molecular weight of 240.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 156538103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).