(2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane

C12H12FN3O3S — CID 155936299

IUPAC(2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(F)cc1)c1cnc(OC)nc1OC
InChIInChI=1S/C12H12FN3O3S/c1-18-11-10(7-15-12(16-11)19-2)20(14,17)9-5-3-8(13)4-6-9/h3-7,14H,1-2H3
InChIKeyVILWONXVDWDGJD-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.10
Rot. Bonds4

About (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane

(2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane (PubChem CID 155936299) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane
PubChem CID155936299
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name(2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(F)cc1)c1cnc(OC)nc1OC
InChIInChI=1S/C12H12FN3O3S/c1-18-11-10(7-15-12(16-11)19-2)20(14,17)9-5-3-8(13)4-6-9/h3-7,14H,1-2H3
InChIKeyVILWONXVDWDGJD-UHFFFAOYSA-N
XLogP2.10
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane?
The IUPAC name of (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane (CID 155936299) is (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane.
What is the SMILES notation for (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane?
The canonical SMILES for (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane is [H]N=S(=O)(c1ccc(F)cc1)c1cnc(OC)nc1OC.
What is the InChIKey of (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane?
The InChIKey is VILWONXVDWDGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-18-11-10(7-15-12(16-11)19-2)20(14,17)9-5-3-8(13)4-6-9/h3-7,14H,1-2H3.
What are the key properties of (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane?
(2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane has a molecular weight of 297.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)-imino-oxo-λ6-sulfane is sourced from PubChem (CID 155936299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).