4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one

C10H12FN3O — CID 89265243

IUPAC4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one
SMILESC=C1CC[C@H](n2cc(F)c(N)nc2=O)C1
InChIInChI=1S/C10H12FN3O/c1-6-2-3-7(4-6)14-5-8(11)9(12)13-10(14)15/h5,7H,1-4H2,(H2,12,13,15)/t7-/m0/s1
InChIKeyOBPPMXRVXBTASR-ZETCQYMHSA-N
MW209.22 g/mol
LogP1.25
Rot. Bonds1

About 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one

4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one (PubChem CID 89265243) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one
PubChem CID89265243
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one
SMILESC=C1CC[C@H](n2cc(F)c(N)nc2=O)C1
InChIInChI=1S/C10H12FN3O/c1-6-2-3-7(4-6)14-5-8(11)9(12)13-10(14)15/h5,7H,1-4H2,(H2,12,13,15)/t7-/m0/s1
InChIKeyOBPPMXRVXBTASR-ZETCQYMHSA-N
XLogP1.25
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one (CID 89265243) is 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one is C=C1CC[C@H](n2cc(F)c(N)nc2=O)C1.
What is the InChIKey of 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one?
The InChIKey is OBPPMXRVXBTASR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-6-2-3-7(4-6)14-5-8(11)9(12)13-10(14)15/h5,7H,1-4H2,(H2,12,13,15)/t7-/m0/s1.
What are the key properties of 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one?
4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(1S)-3-methylidenecyclopentyl]pyrimidin-2-one is sourced from PubChem (CID 89265243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).