[2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite

C10H10ClFN4OS — CID 166863123

IUPAC[2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
SMILESFSn1ccc2c(NC3CCOC3)nc(Cl)nc21
InChIInChI=1S/C10H10ClFN4OS/c11-10-14-8(13-6-2-4-17-5-6)7-1-3-16(18-12)9(7)15-10/h1,3,6H,2,4-5H2,(H,13,14,15)
InChIKeyVGOMNUZNOFKDHW-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.67
Rot. Bonds3

About [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite

[2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite (PubChem CID 166863123) has the molecular formula C10H10ClFN4OS and a molecular weight of 288.74 g/mol. Its IUPAC name is [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
PubChem CID166863123
Molecular FormulaC10H10ClFN4OS
Molecular Weight288.74 g/mol
Exact Mass288.02
IUPAC Name[2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite
SMILESFSn1ccc2c(NC3CCOC3)nc(Cl)nc21
InChIInChI=1S/C10H10ClFN4OS/c11-10-14-8(13-6-2-4-17-5-6)7-1-3-16(18-12)9(7)15-10/h1,3,6H,2,4-5H2,(H,13,14,15)
InChIKeyVGOMNUZNOFKDHW-UHFFFAOYSA-N
XLogP2.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?
The IUPAC name of [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite (CID 166863123) is [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite.
What is the SMILES notation for [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?
The canonical SMILES for [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite is FSn1ccc2c(NC3CCOC3)nc(Cl)nc21.
What is the InChIKey of [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?
The InChIKey is VGOMNUZNOFKDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4OS/c11-10-14-8(13-6-2-4-17-5-6)7-1-3-16(18-12)9(7)15-10/h1,3,6H,2,4-5H2,(H,13,14,15).
What are the key properties of [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite?
[2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite has a molecular weight of 288.74 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(oxolan-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl] thiohypofluorite is sourced from PubChem (CID 166863123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).