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

C8H12FN3O — CID 124909092

IUPAC2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one
SMILESCCN(CC)c1ncc(F)c(=O)[nH]1
InChIInChI=1S/C8H12FN3O/c1-3-12(4-2)8-10-5-6(9)7(13)11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyYLPCYTRXLLBRAY-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.76
Rot. Bonds3

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

2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one (PubChem CID 124909092) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one
PubChem CID124909092
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one
SMILESCCN(CC)c1ncc(F)c(=O)[nH]1
InChIInChI=1S/C8H12FN3O/c1-3-12(4-2)8-10-5-6(9)7(13)11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyYLPCYTRXLLBRAY-UHFFFAOYSA-N
XLogP0.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethylamino)pyrimidin-4-ol
CID 817200
5-Fluoroisocytosine
CID 74310
2-(Diethylamino)-5-methylpyrimidin-4-ol
CID 602372
2-Butylamino-5-fluoro-1-methylpyrimidin-4 (1h)-one
CID 21577894
2-Butylamino-5-fluoro-3-methylpyrimidin-4(3h)-one
CID 129744055
Ctk1F7610
CID 12022219
2-(Dimethylamino)-6-fluoropyrimidin-4(1H)-one
CID 135443836
5-fluoro-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 21180002
7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 118005260
6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 122545063
2-(diethylamino)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228759
5-fluoro-2-(methylamino)-1H-pyrimidin-6-one
CID 80867107

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one (CID 124909092) is 2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one is CCN(CC)c1ncc(F)c(=O)[nH]1.
What is the InChIKey of 2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is YLPCYTRXLLBRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-3-12(4-2)8-10-5-6(9)7(13)11-8/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one?
2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 185.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 124909092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).