4-(2-fluoroethylamino)-1H-pyrimidin-6-one

C6H8FN3O — CID 137153616

IUPAC4-(2-fluoroethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCF)nc[nH]1
InChIInChI=1S/C6H8FN3O/c7-1-2-8-5-3-6(11)10-4-9-5/h3-4H,1-2H2,(H2,8,9,10,11)
InChIKeyFXQKPYNIPIXGTC-UHFFFAOYSA-N
MW157.15 g/mol
LogP0.15
Rot. Bonds3

About 4-(2-fluoroethylamino)-1H-pyrimidin-6-one

4-(2-fluoroethylamino)-1H-pyrimidin-6-one (PubChem CID 137153616) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluoroethylamino)-1H-pyrimidin-6-one
PubChem CID137153616
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name4-(2-fluoroethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCF)nc[nH]1
InChIInChI=1S/C6H8FN3O/c7-1-2-8-5-3-6(11)10-4-9-5/h3-4H,1-2H2,(H2,8,9,10,11)
InChIKeyFXQKPYNIPIXGTC-UHFFFAOYSA-N
XLogP0.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxypyrimidine
CID 20695
6-Amino-1H-pyrimidin-4-one
CID 135431272
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
6-(Methylamino)pyrimidin-4-ol
CID 135481447
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
3-Methyl-6-(methylamino)-4(3H)-pyrimidinone
CID 55288147
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-(Dimethylamino)-6-fluoropyrimidin-4(1H)-one
CID 135443836
4-Fluoro-6-hydroxypyrimidine
CID 135608329
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluoroethylamino)-1H-pyrimidin-6-one (CID 137153616) is 4-(2-fluoroethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluoroethylamino)-1H-pyrimidin-6-one is O=c1cc(NCCF)nc[nH]1.
What is the InChIKey of 4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
The InChIKey is FXQKPYNIPIXGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c7-1-2-8-5-3-6(11)10-4-9-5/h3-4H,1-2H2,(H2,8,9,10,11).
What are the key properties of 4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
4-(2-fluoroethylamino)-1H-pyrimidin-6-one has a molecular weight of 157.15 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137153616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).