2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one

C6H8FN3O — CID 80867656

IUPAC2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one
SMILESCCNc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C6H8FN3O/c1-2-8-6-9-3-4(7)5(11)10-6/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyWMNYBGPJSGCKGT-UHFFFAOYSA-N
MW157.15 g/mol
LogP0.34
Rot. Bonds2

About 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one

2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one (PubChem CID 80867656) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one
PubChem CID80867656
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one
SMILESCCNc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C6H8FN3O/c1-2-8-6-9-3-4(7)5(11)10-6/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyWMNYBGPJSGCKGT-UHFFFAOYSA-N
XLogP0.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethylamino)pyrimidin-4-ol
CID 817200
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
5-Fluoroisocytosine
CID 74310
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
2-Butylamino-5-fluoro-1-methylpyrimidin-4 (1h)-one
CID 21577894
2-Butylamino-5-fluoro-3-methylpyrimidin-4(3h)-one
CID 129744055
2-(Methylamino)-3,4-dihydropyrimidin-4-one
CID 14803475
4-Hydroxy-2-isopropylamino-pyrimidine
CID 1404214
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
2-(Dimethylamino)-6-fluoropyrimidin-4(1H)-one
CID 135443836
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
5-Bromo-2-(2-fluoroethylamino)-3-methylpyrimidin-4-one
CID 170057604

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one (CID 80867656) is 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one is CCNc1ncc(F)c(=O)[nH]1.
What is the InChIKey of 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is WMNYBGPJSGCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-2-8-6-9-3-4(7)5(11)10-6/h3H,2H2,1H3,(H2,8,9,10,11).
What are the key properties of 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one?
2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 157.15 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 80867656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).