6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene

C9H12FN3O — CID 175030316

IUPAC6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene
SMILESFC1=CCCC1.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C5H7F.C4H5N3O/c6-5-3-1-2-4-5;5-3-1-2-6-4(8)7-3/h3H,1-2,4H2;1-2H,(H3,5,6,7,8)
InChIKeyJSZKPBOVVDDPAA-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.38
Rot. Bonds

About 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene

6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene (PubChem CID 175030316) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene.

Molecular Properties

Compound Name6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene
PubChem CID175030316
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene
SMILESFC1=CCCC1.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C5H7F.C4H5N3O/c6-5-3-1-2-4-5;5-3-1-2-6-4(8)7-3/h3H,1-2,4H2;1-2H,(H3,5,6,7,8)
InChIKeyJSZKPBOVVDDPAA-UHFFFAOYSA-N
XLogP1.38
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene?
The IUPAC name of 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene (CID 175030316) is 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene.
What is the SMILES notation for 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene?
The canonical SMILES for 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene is FC1=CCCC1.Nc1ccnc(=O)[nH]1.
What is the InChIKey of 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene?
The InChIKey is JSZKPBOVVDDPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F.C4H5N3O/c6-5-3-1-2-4-5;5-3-1-2-6-4(8)7-3/h3H,1-2,4H2;1-2H,(H3,5,6,7,8).
What are the key properties of 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene?
6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene has a molecular weight of 197.21 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidin-2-one;1-fluorocyclopentene is sourced from PubChem (CID 175030316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).