4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C8H10ClN3S — CID 78077285

IUPAC4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)NC(C)C2
InChIInChI=1S/C8H10ClN3S/c1-4-3-5-6(9)11-8(13-2)12-7(5)10-4/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyGSXBYPXWMMIMEH-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.21
Rot. Bonds1

About 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 78077285) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID78077285
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)NC(C)C2
InChIInChI=1S/C8H10ClN3S/c1-4-3-5-6(9)11-8(13-2)12-7(5)10-4/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyGSXBYPXWMMIMEH-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CID 78077285) is 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is CSc1nc(Cl)c2c(n1)NC(C)C2.
What is the InChIKey of 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is GSXBYPXWMMIMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c1-4-3-5-6(9)11-8(13-2)12-7(5)10-4/h4H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 215.71 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 78077285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).