[(5-fluoropyrimidin-4-yl)amino]urea

C5H6FN5O — CID 131002675

IUPAC[(5-fluoropyrimidin-4-yl)amino]urea
SMILESNC(=O)NNc1ncncc1F
InChIInChI=1S/C5H6FN5O/c6-3-1-8-2-9-4(3)10-11-5(7)12/h1-2H,(H3,7,11,12)(H,8,9,10)
InChIKeyJDWFCKBWIRMHAD-UHFFFAOYSA-N
MW171.14 g/mol
LogP-0.39
Rot. Bonds2

About [(5-fluoropyrimidin-4-yl)amino]urea

[(5-fluoropyrimidin-4-yl)amino]urea (PubChem CID 131002675) has the molecular formula C5H6FN5O and a molecular weight of 171.14 g/mol. Its IUPAC name is [(5-fluoropyrimidin-4-yl)amino]urea.

Molecular Properties

Compound Name[(5-fluoropyrimidin-4-yl)amino]urea
PubChem CID131002675
Molecular FormulaC5H6FN5O
Molecular Weight171.14 g/mol
Exact Mass171.06
IUPAC Name[(5-fluoropyrimidin-4-yl)amino]urea
SMILESNC(=O)NNc1ncncc1F
InChIInChI=1S/C5H6FN5O/c6-3-1-8-2-9-4(3)10-11-5(7)12/h1-2H,(H3,7,11,12)(H,8,9,10)
InChIKeyJDWFCKBWIRMHAD-UHFFFAOYSA-N
XLogP-0.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(5-fluoropyrimidin-4-yl)amino]urea 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 [(5-fluoropyrimidin-4-yl)amino]urea?
The IUPAC name of [(5-fluoropyrimidin-4-yl)amino]urea (CID 131002675) is [(5-fluoropyrimidin-4-yl)amino]urea.
What is the SMILES notation for [(5-fluoropyrimidin-4-yl)amino]urea?
The canonical SMILES for [(5-fluoropyrimidin-4-yl)amino]urea is NC(=O)NNc1ncncc1F.
What is the InChIKey of [(5-fluoropyrimidin-4-yl)amino]urea?
The InChIKey is JDWFCKBWIRMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN5O/c6-3-1-8-2-9-4(3)10-11-5(7)12/h1-2H,(H3,7,11,12)(H,8,9,10).
What are the key properties of [(5-fluoropyrimidin-4-yl)amino]urea?
[(5-fluoropyrimidin-4-yl)amino]urea has a molecular weight of 171.14 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-fluoropyrimidin-4-yl)amino]urea is sourced from PubChem (CID 131002675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).