[2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite

C10H12ClFN4OS — CID 166863125

IUPAC[2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
SMILESCOCCN(C)c1nc(Cl)nc2c1ccn2SF
InChIInChI=1S/C10H12ClFN4OS/c1-15(5-6-17-2)8-7-3-4-16(18-12)9(7)14-10(11)13-8/h3-4H,5-6H2,1-2H3
InChIKeyBYDXSGCYPCEOMM-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.55
Rot. Bonds5

About [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite

[2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite (PubChem CID 166863125) has the molecular formula C10H12ClFN4OS and a molecular weight of 290.75 g/mol. Its IUPAC name is [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
PubChem CID166863125
Molecular FormulaC10H12ClFN4OS
Molecular Weight290.75 g/mol
Exact Mass290.04
IUPAC Name[2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
SMILESCOCCN(C)c1nc(Cl)nc2c1ccn2SF
InChIInChI=1S/C10H12ClFN4OS/c1-15(5-6-17-2)8-7-3-4-16(18-12)9(7)14-10(11)13-8/h3-4H,5-6H2,1-2H3
InChIKeyBYDXSGCYPCEOMM-UHFFFAOYSA-N
XLogP2.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?
The IUPAC name of [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite (CID 166863125) is [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite.
What is the SMILES notation for [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?
The canonical SMILES for [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite is COCCN(C)c1nc(Cl)nc2c1ccn2SF.
What is the InChIKey of [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?
The InChIKey is BYDXSGCYPCEOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN4OS/c1-15(5-6-17-2)8-7-3-4-16(18-12)9(7)14-10(11)13-8/h3-4H,5-6H2,1-2H3.
What are the key properties of [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?
[2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite has a molecular weight of 290.75 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[2-methoxyethyl(methyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite is sourced from PubChem (CID 166863125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).