4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one

C4H5F2N3O — CID 141455599

IUPAC4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one
SMILESNC1(F)NC(=O)NC=C1F
InChIInChI=1S/C4H5F2N3O/c5-2-1-8-3(10)9-4(2,6)7/h1H,7H2,(H2,8,9,10)
InChIKeyLDIWKRLBHDJIMD-UHFFFAOYSA-N
MW149.10 g/mol
LogP-0.31
Rot. Bonds

About 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one

4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one (PubChem CID 141455599) has the molecular formula C4H5F2N3O and a molecular weight of 149.10 g/mol. Its IUPAC name is 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one
PubChem CID141455599
Molecular FormulaC4H5F2N3O
Molecular Weight149.10 g/mol
Exact Mass149.04
IUPAC Name4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one
SMILESNC1(F)NC(=O)NC=C1F
InChIInChI=1S/C4H5F2N3O/c5-2-1-8-3(10)9-4(2,6)7/h1H,7H2,(H2,8,9,10)
InChIKeyLDIWKRLBHDJIMD-UHFFFAOYSA-N
XLogP-0.31
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-amino-4,5-difluoro-1,3-dihydropyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one (CID 141455599) is 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one is NC1(F)NC(=O)NC=C1F.
What is the InChIKey of 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one?
The InChIKey is LDIWKRLBHDJIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3O/c5-2-1-8-3(10)9-4(2,6)7/h1H,7H2,(H2,8,9,10).
What are the key properties of 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one?
4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one has a molecular weight of 149.10 g/mol, XLogP of -0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4,5-difluoro-1,3-dihydropyrimidin-2-one is sourced from PubChem (CID 141455599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).