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

C5H6FN3O — CID 80867107

IUPAC5-fluoro-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C5H6FN3O/c1-7-5-8-2-3(6)4(10)9-5/h2H,1H3,(H2,7,8,9,10)
InChIKeyXZMYMYGODIKDJC-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.05
Rot. Bonds1

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

5-fluoro-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 80867107) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 5-fluoro-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID80867107
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name5-fluoro-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C5H6FN3O/c1-7-5-8-2-3(6)4(10)9-5/h2H,1H3,(H2,7,8,9,10)
InChIKeyXZMYMYGODIKDJC-UHFFFAOYSA-N
XLogP-0.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoroisocytosine
CID 74310
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
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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-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
5-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 80867109
2-(ethylamino)-5-fluoro-1H-pyrimidin-6-one
CID 80867656
2-(dimethylamino)-5-fluoro-1H-pyrimidin-6-one
CID 124705839
N-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 124908324
2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one
CID 124909092
6-Fluoro-2-(methylamino)-4(1H)-pyrimidinone
CID 135454089

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(methylamino)-1H-pyrimidin-6-one (CID 80867107) is 5-fluoro-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(methylamino)-1H-pyrimidin-6-one is CNc1ncc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is XZMYMYGODIKDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c1-7-5-8-2-3(6)4(10)9-5/h2H,1H3,(H2,7,8,9,10).
What are the key properties of 5-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
5-fluoro-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 143.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 80867107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).