4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one

C6H8FN3O — CID 3546744

IUPAC4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one
SMILESCN(C)c1cc(F)[nH]c(=O)n1
InChIInChI=1S/C6H8FN3O/c1-10(2)5-3-4(7)8-6(11)9-5/h3H,1-2H3,(H,8,9,11)
InChIKeyUCJLKYRNVCZWNX-UHFFFAOYSA-N
MW157.15 g/mol
LogP-0.03
Rot. Bonds1

About 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one

4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one (PubChem CID 3546744) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one
PubChem CID3546744
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one
SMILESCN(C)c1cc(F)[nH]c(=O)n1
InChIInChI=1S/C6H8FN3O/c1-10(2)5-3-4(7)8-6(11)9-5/h3H,1-2H3,(H,8,9,11)
InChIKeyUCJLKYRNVCZWNX-UHFFFAOYSA-N
XLogP-0.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-6-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one (CID 3546744) is 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one is CN(C)c1cc(F)[nH]c(=O)n1.
What is the InChIKey of 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one?
The InChIKey is UCJLKYRNVCZWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-10(2)5-3-4(7)8-6(11)9-5/h3H,1-2H3,(H,8,9,11).
What are the key properties of 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one?
4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one has a molecular weight of 157.15 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 3546744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).