4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one

C4H6FN3O — CID 3279834

IUPAC4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one
SMILESNC1NC(=O)NC=C1F
InChIInChI=1S/C4H6FN3O/c5-2-1-7-4(9)8-3(2)6/h1,3H,6H2,(H2,7,8,9)
InChIKeySGJHJTLXTSZBRW-UHFFFAOYSA-N
MW131.11 g/mol
LogP-0.61
Rot. Bonds

About 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one

4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 3279834) has the molecular formula C4H6FN3O and a molecular weight of 131.11 g/mol. Its IUPAC name is 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID3279834
Molecular FormulaC4H6FN3O
Molecular Weight131.11 g/mol
Exact Mass131.05
IUPAC Name4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one
SMILESNC1NC(=O)NC=C1F
InChIInChI=1S/C4H6FN3O/c5-2-1-7-4(9)8-3(2)6/h1,3H,6H2,(H2,7,8,9)
InChIKeySGJHJTLXTSZBRW-UHFFFAOYSA-N
XLogP-0.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Fluorocytosine
CID 69975567
5-fluoro-3,4-dihydro-1H-pyrimidin-2-one
CID 129822876
3-Hydroxy-5-fluorcytosin
CID 129630082
4-Hydroxylamino-5-fluor-2-oxodihydropyrimidin
CID 129647244
Fluorodihydrocytosine
CID 129762347
Dihydrocytosine
CID 435182
4-amino-5-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 89260314
6-Amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one
CID 118242075
4-Amino-4,5-difluoro-1,3-dihydropyrimidin-2-one
CID 141455599
4-Amino-3-fluoro-1,4-dihydropyrimidin-2-one
CID 141556307
5-fluoro-4-methylidene-1H-pyrimidin-2-one
CID 141830628
6-Amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one
CID 147755507

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one (CID 3279834) is 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one is NC1NC(=O)NC=C1F.
What is the InChIKey of 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is SGJHJTLXTSZBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3O/c5-2-1-7-4(9)8-3(2)6/h1,3H,6H2,(H2,7,8,9).
What are the key properties of 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one?
4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 131.11 g/mol, XLogP of -0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 3279834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).