5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine

C9H11ClFN3 — CID 126987815

IUPAC5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine
SMILESF[C@H]1CCC[C@H]1Nc1ncncc1Cl
InChIInChI=1S/C9H11ClFN3/c10-6-4-12-5-13-9(6)14-8-3-1-2-7(8)11/h4-5,7-8H,1-3H2,(H,12,13,14)/t7-,8+/m0/s1
InChIKeySZXRCUKZLLNCST-JGVFFNPUSA-N
MW215.66 g/mol
LogP2.43
Rot. Bonds2

About 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine

5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine (PubChem CID 126987815) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine
PubChem CID126987815
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine
SMILESF[C@H]1CCC[C@H]1Nc1ncncc1Cl
InChIInChI=1S/C9H11ClFN3/c10-6-4-12-5-13-9(6)14-8-3-1-2-7(8)11/h4-5,7-8H,1-3H2,(H,12,13,14)/t7-,8+/m0/s1
InChIKeySZXRCUKZLLNCST-JGVFFNPUSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine (CID 126987815) is 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine is F[C@H]1CCC[C@H]1Nc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine?
The InChIKey is SZXRCUKZLLNCST-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H11ClFN3/c10-6-4-12-5-13-9(6)14-8-3-1-2-7(8)11/h4-5,7-8H,1-3H2,(H,12,13,14)/t7-,8+/m0/s1.
What are the key properties of 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine?
5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine has a molecular weight of 215.66 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine is sourced from PubChem (CID 126987815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).