2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine

C10H11FN6O2S — CID 129238830

IUPAC2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine
SMILESCOc1nc(F)nc(OC)c1Sc1nc(N)cc(N)n1
InChIInChI=1S/C10H11FN6O2S/c1-18-7-6(8(19-2)17-9(11)16-7)20-10-14-4(12)3-5(13)15-10/h3H,1-2H3,(H4,12,13,14,15)
InChIKeyUPGDICVWMITPBP-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.74
Rot. Bonds4

About 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine

2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine (PubChem CID 129238830) has the molecular formula C10H11FN6O2S and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine
PubChem CID129238830
Molecular FormulaC10H11FN6O2S
Molecular Weight298.30 g/mol
Exact Mass298.06
IUPAC Name2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine
SMILESCOc1nc(F)nc(OC)c1Sc1nc(N)cc(N)n1
InChIInChI=1S/C10H11FN6O2S/c1-18-7-6(8(19-2)17-9(11)16-7)20-10-14-4(12)3-5(13)15-10/h3H,1-2H3,(H4,12,13,14,15)
InChIKeyUPGDICVWMITPBP-UHFFFAOYSA-N
XLogP0.74
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine (CID 129238830) is 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine is COc1nc(F)nc(OC)c1Sc1nc(N)cc(N)n1.
What is the InChIKey of 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is UPGDICVWMITPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O2S/c1-18-7-6(8(19-2)17-9(11)16-7)20-10-14-4(12)3-5(13)15-10/h3H,1-2H3,(H4,12,13,14,15).
What are the key properties of 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine?
2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 298.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 129238830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).