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

C5H8FN3O — CID 91083954

IUPAC5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one
SMILESCNC1NC(=O)N=CC1F
InChIInChI=1S/C5H8FN3O/c1-7-4-3(6)2-8-5(10)9-4/h2-4,7H,1H3,(H,9,10)
InChIKeySRNUBCGNIXYHQC-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.34
Rot. Bonds1

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

5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one (PubChem CID 91083954) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one
PubChem CID91083954
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one
SMILESCNC1NC(=O)N=CC1F
InChIInChI=1S/C5H8FN3O/c1-7-4-3(6)2-8-5(10)9-4/h2-4,7H,1H3,(H,9,10)
InChIKeySRNUBCGNIXYHQC-UHFFFAOYSA-N
XLogP-0.34
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one (CID 91083954) is 5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one is CNC1NC(=O)N=CC1F.
What is the InChIKey of 5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one?
The InChIKey is SRNUBCGNIXYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c1-7-4-3(6)2-8-5(10)9-4/h2-4,7H,1H3,(H,9,10).
What are the key properties of 5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one?
5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one has a molecular weight of 145.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(methylamino)-5,6-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 91083954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).