7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

C11H15ClN4OS — CID 3078648

IUPAC7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCN1C(=O)Cc2cnc(N3CCSCC3)nc21.Cl
InChIInChI=1S/C11H14N4OS.ClH/c1-14-9(16)6-8-7-12-11(13-10(8)14)15-2-4-17-5-3-15;/h7H,2-6H2,1H3;1H
InChIKeySDANXPFSDRZPRQ-UHFFFAOYSA-N
MW286.79 g/mol
LogP0.97
Rot. Bonds1

About 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 3078648) has the molecular formula C11H15ClN4OS and a molecular weight of 286.79 g/mol. Its IUPAC name is 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID3078648
Molecular FormulaC11H15ClN4OS
Molecular Weight286.79 g/mol
Exact Mass286.07
IUPAC Name7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCN1C(=O)Cc2cnc(N3CCSCC3)nc21.Cl
InChIInChI=1S/C11H14N4OS.ClH/c1-14-9(16)6-8-7-12-11(13-10(8)14)15-2-4-17-5-3-15;/h7H,2-6H2,1H3;1H
InChIKeySDANXPFSDRZPRQ-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The IUPAC name of 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 3078648) is 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is CN1C(=O)Cc2cnc(N3CCSCC3)nc21.Cl.
What is the InChIKey of 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is SDANXPFSDRZPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS.ClH/c1-14-9(16)6-8-7-12-11(13-10(8)14)15-2-4-17-5-3-15;/h7H,2-6H2,1H3;1H.
What are the key properties of 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride has a molecular weight of 286.79 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-thiomorpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 3078648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).