2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine

C13H17FN6 — CID 174788963

IUPAC2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
SMILESFc1nccc(N[C@H]2CCCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C13H17FN6/c14-13-17-4-3-11(19-13)18-10-2-1-7-20(8-10)9-12-15-5-6-16-12/h3-6,10H,1-2,7-9H2,(H,15,16)(H,17,18,19)/t10-/m0/s1
InChIKeyDJGZVFPUIHPDOV-JTQLQIEISA-N
MW276.32 g/mol
LogP1.42
Rot. Bonds4

About 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine

2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine (PubChem CID 174788963) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
PubChem CID174788963
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC Name2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
SMILESFc1nccc(N[C@H]2CCCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C13H17FN6/c14-13-17-4-3-11(19-13)18-10-2-1-7-20(8-10)9-12-15-5-6-16-12/h3-6,10H,1-2,7-9H2,(H,15,16)(H,17,18,19)/t10-/m0/s1
InChIKeyDJGZVFPUIHPDOV-JTQLQIEISA-N
XLogP1.42
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine (CID 174788963) is 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine is Fc1nccc(N[C@H]2CCCN(Cc3ncc[nH]3)C2)n1.
What is the InChIKey of 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is DJGZVFPUIHPDOV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17FN6/c14-13-17-4-3-11(19-13)18-10-2-1-7-20(8-10)9-12-15-5-6-16-12/h3-6,10H,1-2,7-9H2,(H,15,16)(H,17,18,19)/t10-/m0/s1.
What are the key properties of 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 276.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 174788963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).