2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine

C9H12ClFN4 — CID 59210379

IUPAC2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCNCC1
InChIInChI=1S/C9H12ClFN4/c10-9-13-5-7(11)8(15-9)14-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H,13,14,15)
InChIKeyMMCJKMLVJBAKAA-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.43
Rot. Bonds2

About 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine

2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine (PubChem CID 59210379) has the molecular formula C9H12ClFN4 and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
PubChem CID59210379
Molecular FormulaC9H12ClFN4
Molecular Weight230.67 g/mol
Exact Mass230.07
IUPAC Name2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCNCC1
InChIInChI=1S/C9H12ClFN4/c10-9-13-5-7(11)8(15-9)14-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H,13,14,15)
InChIKeyMMCJKMLVJBAKAA-UHFFFAOYSA-N
XLogP1.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine (CID 59210379) is 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine is Fc1cnc(Cl)nc1NC1CCNCC1.
What is the InChIKey of 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is MMCJKMLVJBAKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN4/c10-9-13-5-7(11)8(15-9)14-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine?
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 230.67 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 59210379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).