1-acetyl-4-amino-5-fluoropyrimidin-2-one

C6H6FN3O2 — CID 18784305

IUPAC1-acetyl-4-amino-5-fluoropyrimidin-2-one
SMILESCC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C6H6FN3O2/c1-3(11)10-2-4(7)5(8)9-6(10)12/h2H,1H3,(H2,8,9,12)
InChIKeyHFYOTRKWMTXNKQ-UHFFFAOYSA-N
MW171.13 g/mol
LogP-0.38
Rot. Bonds

About 1-acetyl-4-amino-5-fluoropyrimidin-2-one

1-acetyl-4-amino-5-fluoropyrimidin-2-one (PubChem CID 18784305) has the molecular formula C6H6FN3O2 and a molecular weight of 171.13 g/mol. Its IUPAC name is 1-acetyl-4-amino-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name1-acetyl-4-amino-5-fluoropyrimidin-2-one
PubChem CID18784305
Molecular FormulaC6H6FN3O2
Molecular Weight171.13 g/mol
Exact Mass171.04
IUPAC Name1-acetyl-4-amino-5-fluoropyrimidin-2-one
SMILESCC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C6H6FN3O2/c1-3(11)10-2-4(7)5(8)9-6(10)12/h2H,1H3,(H2,8,9,12)
InChIKeyHFYOTRKWMTXNKQ-UHFFFAOYSA-N
XLogP-0.38
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetylcytosine
CID 22051989
N'-(1-acetyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 50898354
4-Amino-1-ethyl-5-fluoropyrimidin-2-one
CID 58166397
1-Acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one
CID 66972204
4-Amino-5-fluoro-1-propanoylpyrimidin-2-one
CID 67322080
4-Amino-5-fluoro-2-oxopyrimidine-1-carboxamide
CID 174607105
1-Acetyl-4-amino-5-methylpyrimidin-2-one
CID 69533820
1-Acetyl-4-aminopyrimidin-2-one;methane
CID 174689479

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-amino-5-fluoropyrimidin-2-one?
The IUPAC name of 1-acetyl-4-amino-5-fluoropyrimidin-2-one (CID 18784305) is 1-acetyl-4-amino-5-fluoropyrimidin-2-one.
What is the SMILES notation for 1-acetyl-4-amino-5-fluoropyrimidin-2-one?
The canonical SMILES for 1-acetyl-4-amino-5-fluoropyrimidin-2-one is CC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of 1-acetyl-4-amino-5-fluoropyrimidin-2-one?
The InChIKey is HFYOTRKWMTXNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O2/c1-3(11)10-2-4(7)5(8)9-6(10)12/h2H,1H3,(H2,8,9,12).
What are the key properties of 1-acetyl-4-amino-5-fluoropyrimidin-2-one?
1-acetyl-4-amino-5-fluoropyrimidin-2-one has a molecular weight of 171.13 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-amino-5-fluoropyrimidin-2-one is sourced from PubChem (CID 18784305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).