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

C10H15FN4O — CID 90176636

IUPAC2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
SMILESCO[C@@H]1CCN(c2nccc(N)n2)C[C@@H]1F
InChIInChI=1S/C10H15FN4O/c1-16-8-3-5-15(6-7(8)11)10-13-4-2-9(12)14-10/h2,4,7-8H,3,5-6H2,1H3,(H2,12,13,14)/t7-,8+/m0/s1
InChIKeyZPJRVIQGQKUQQE-JGVFFNPUSA-N
MW226.25 g/mol
LogP0.62
Rot. Bonds2

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

2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine (PubChem CID 90176636) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
PubChem CID90176636
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
SMILESCO[C@@H]1CCN(c2nccc(N)n2)C[C@@H]1F
InChIInChI=1S/C10H15FN4O/c1-16-8-3-5-15(6-7(8)11)10-13-4-2-9(12)14-10/h2,4,7-8H,3,5-6H2,1H3,(H2,12,13,14)/t7-,8+/m0/s1
InChIKeyZPJRVIQGQKUQQE-JGVFFNPUSA-N
XLogP0.62
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methoxy-2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 122536475
4-(4-Aminopiperidin-1-yl)pyrimidin-2-amine
CID 49857012
1-(Pyrimidin-2-yl)piperidin-4-ol
CID 20234098
4-Piperidin-1-ylpyrimidin-2-amine
CID 295758
2-(Pentyloxy)pyrimidin-4-amine
CID 308511
2-Propoxypyrimidin-4-amine
CID 308515
N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
1-(2-Aminopyrimidin-4-yl)piperidin-3-ol
CID 66520509
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
2-Tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 71845929

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine (CID 90176636) is 2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine is CO[C@@H]1CCN(c2nccc(N)n2)C[C@@H]1F.
What is the InChIKey of 2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
The InChIKey is ZPJRVIQGQKUQQE-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-16-8-3-5-15(6-7(8)11)10-13-4-2-9(12)14-10/h2,4,7-8H,3,5-6H2,1H3,(H2,12,13,14)/t7-,8+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine has a molecular weight of 226.25 g/mol, XLogP of 0.62, 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-methoxypiperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 90176636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).