4,5-diamino-2-fluoro-1H-pyrimidin-6-one

C4H5FN4O — CID 145259514

IUPAC4,5-diamino-2-fluoro-1H-pyrimidin-6-one
SMILESNc1nc(F)[nH]c(=O)c1N
InChIInChI=1S/C4H5FN4O/c5-4-8-2(7)1(6)3(10)9-4/h6H2,(H3,7,8,9,10)
InChIKeySQGVKJYZYRBLIJ-UHFFFAOYSA-N
MW144.11 g/mol
LogP-0.93
Rot. Bonds

About 4,5-diamino-2-fluoro-1H-pyrimidin-6-one

4,5-diamino-2-fluoro-1H-pyrimidin-6-one (PubChem CID 145259514) has the molecular formula C4H5FN4O and a molecular weight of 144.11 g/mol. Its IUPAC name is 4,5-diamino-2-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-fluoro-1H-pyrimidin-6-one
PubChem CID145259514
Molecular FormulaC4H5FN4O
Molecular Weight144.11 g/mol
Exact Mass144.04
IUPAC Name4,5-diamino-2-fluoro-1H-pyrimidin-6-one
SMILESNc1nc(F)[nH]c(=O)c1N
InChIInChI=1S/C4H5FN4O/c5-4-8-2(7)1(6)3(10)9-4/h6H2,(H3,7,8,9,10)
InChIKeySQGVKJYZYRBLIJ-UHFFFAOYSA-N
XLogP-0.93
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,5-diamino-2-fluoro-1H-pyrimidin-6-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 4,5-diamino-2-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-fluoro-1H-pyrimidin-6-one (CID 145259514) is 4,5-diamino-2-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-fluoro-1H-pyrimidin-6-one is Nc1nc(F)[nH]c(=O)c1N.
What is the InChIKey of 4,5-diamino-2-fluoro-1H-pyrimidin-6-one?
The InChIKey is SQGVKJYZYRBLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN4O/c5-4-8-2(7)1(6)3(10)9-4/h6H2,(H3,7,8,9,10).
What are the key properties of 4,5-diamino-2-fluoro-1H-pyrimidin-6-one?
4,5-diamino-2-fluoro-1H-pyrimidin-6-one has a molecular weight of 144.11 g/mol, XLogP of -0.93, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 145259514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).