4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one

C9H10F2N6O2 — CID 159047602

IUPAC4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one
SMILESCn1cc(F)c(N)nc1=O.Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C5H6FN3O.C4H4FN3O/c1-9-2-3(6)4(7)8-5(9)10;5-2-1-7-4(9)8-3(2)6/h2H,1H3,(H2,7,8,10);1H,(H3,6,7,8,9)
InChIKeyJWVTUUVOPQGJOA-UHFFFAOYSA-N
MW272.22 g/mol
LogP-1.01
Rot. Bonds

About 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one

4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one (PubChem CID 159047602) has the molecular formula C9H10F2N6O2 and a molecular weight of 272.22 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one
PubChem CID159047602
Molecular FormulaC9H10F2N6O2
Molecular Weight272.22 g/mol
Exact Mass272.08
IUPAC Name4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one
SMILESCn1cc(F)c(N)nc1=O.Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C5H6FN3O.C4H4FN3O/c1-9-2-3(6)4(7)8-5(9)10;5-2-1-7-4(9)8-3(2)6/h2H,1H3,(H2,7,8,10);1H,(H3,6,7,8,9)
InChIKeyJWVTUUVOPQGJOA-UHFFFAOYSA-N
XLogP-1.01
TPSA132.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one (CID 159047602) is 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one is Cn1cc(F)c(N)nc1=O.Nc1[nH]c(=O)ncc1F.
What is the InChIKey of 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is JWVTUUVOPQGJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O.C4H4FN3O/c1-9-2-3(6)4(7)8-5(9)10;5-2-1-7-4(9)8-3(2)6/h2H,1H3,(H2,7,8,10);1H,(H3,6,7,8,9).
What are the key properties of 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one?
4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 272.22 g/mol, XLogP of -1.01, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 159047602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).