1,4-diamino-5-fluoropyrimidin-2-one

C4H5FN4O — CID 118338045

IUPAC1,4-diamino-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(N)cc1F
InChIInChI=1S/C4H5FN4O/c5-2-1-9(7)4(10)8-3(2)6/h1H,7H2,(H2,6,8,10)
InChIKeyYZEJIIKKLLEIGG-UHFFFAOYSA-N
MW144.11 g/mol
LogP-1.32
Rot. Bonds

About 1,4-diamino-5-fluoropyrimidin-2-one

1,4-diamino-5-fluoropyrimidin-2-one (PubChem CID 118338045) has the molecular formula C4H5FN4O and a molecular weight of 144.11 g/mol. Its IUPAC name is 1,4-diamino-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name1,4-diamino-5-fluoropyrimidin-2-one
PubChem CID118338045
Molecular FormulaC4H5FN4O
Molecular Weight144.11 g/mol
Exact Mass144.04
IUPAC Name1,4-diamino-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(N)cc1F
InChIInChI=1S/C4H5FN4O/c5-2-1-9(7)4(10)8-3(2)6/h1H,7H2,(H2,6,8,10)
InChIKeyYZEJIIKKLLEIGG-UHFFFAOYSA-N
XLogP-1.32
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-Diaminopyrimidin-2(1H)-one
CID 15101965
4-Amino-1-(dimethylamino)-5-fluoropyrimidin-2-one
CID 123162599
4-Amino-5-fluoro-1-(methylamino)pyrimidin-2-one
CID 123875300
5-Fluoro-4-hydrazinyl-1-methylpyrimidin-2-one
CID 155447173
(4-Amino-5-fluoro-2-oxopyrimidin-1-yl)urea
CID 174871991
1,4-Diamino-5-iodopyrimidin-2-one
CID 70885109
1,4-Diamino-5-fluoropyrimidin-2-one;hydron
CID 174621899
1,4,5-Triaminopyrimidin-2-one
CID 55284925

Frequently Asked Questions

What is the IUPAC name of 1,4-diamino-5-fluoropyrimidin-2-one?
The IUPAC name of 1,4-diamino-5-fluoropyrimidin-2-one (CID 118338045) is 1,4-diamino-5-fluoropyrimidin-2-one.
What is the SMILES notation for 1,4-diamino-5-fluoropyrimidin-2-one?
The canonical SMILES for 1,4-diamino-5-fluoropyrimidin-2-one is Nc1nc(=O)n(N)cc1F.
What is the InChIKey of 1,4-diamino-5-fluoropyrimidin-2-one?
The InChIKey is YZEJIIKKLLEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN4O/c5-2-1-9(7)4(10)8-3(2)6/h1H,7H2,(H2,6,8,10).
What are the key properties of 1,4-diamino-5-fluoropyrimidin-2-one?
1,4-diamino-5-fluoropyrimidin-2-one has a molecular weight of 144.11 g/mol, XLogP of -1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diamino-5-fluoropyrimidin-2-one is sourced from PubChem (CID 118338045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).