N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine

C9H13FN4 — CID 140912694

IUPACN-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine
SMILESF[C@@H]1CNC[C@@H](Nc2ncccn2)C1
InChIInChI=1S/C9H13FN4/c10-7-4-8(6-11-5-7)14-9-12-2-1-3-13-9/h1-3,7-8,11H,4-6H2,(H,12,13,14)/t7-,8-/m0/s1
InChIKeyJYGVIWKKRFUIQW-YUMQZZPRSA-N
MW196.23 g/mol
LogP0.59
Rot. Bonds2

About N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine

N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine (PubChem CID 140912694) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine
PubChem CID140912694
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC NameN-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine
SMILESF[C@@H]1CNC[C@@H](Nc2ncccn2)C1
InChIInChI=1S/C9H13FN4/c10-7-4-8(6-11-5-7)14-9-12-2-1-3-13-9/h1-3,7-8,11H,4-6H2,(H,12,13,14)/t7-,8-/m0/s1
InChIKeyJYGVIWKKRFUIQW-YUMQZZPRSA-N
XLogP0.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine
CID 155284839
6-chloro-N-(5-fluoropiperidin-3-yl)pyridazin-3-amine
CID 155284837
N-cyclobutylpyrimidin-2-amine
CID 45080152
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
4-[2-[4-[[ethyl(methyl)sulfamoyl]amino]-2,3,5-trifluorophenoxy]-3-pyridinyl]-2-[[(5S)-5-fluoropiperidin-3-yl]amino]pyrimidine
CID 146529215
N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184370
N-(1-iodopiperidin-4-yl)pyrimidin-2-amine
CID 164956065
N-[4-[[3-[2-[(5-fluoropiperidin-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide
CID 163302468
N-[5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide
CID 135327669
N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
CID 116974683
1-phenyl-N-[2,3,6-trifluoro-4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]ethanesulfonamide
CID 175119223
1-(4-chlorophenyl)-N-[2,3,6-trifluoro-4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 167358730

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine (CID 140912694) is N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine is F[C@@H]1CNC[C@@H](Nc2ncccn2)C1.
What is the InChIKey of N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine?
The InChIKey is JYGVIWKKRFUIQW-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H13FN4/c10-7-4-8(6-11-5-7)14-9-12-2-1-3-13-9/h1-3,7-8,11H,4-6H2,(H,12,13,14)/t7-,8-/m0/s1.
What are the key properties of N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine?
N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 196.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 140912694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).