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

C8H10ClN3S — CID 135041506

IUPAC4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)NCC2C
InChIInChI=1S/C8H10ClN3S/c1-4-3-10-7-5(4)6(9)11-8(12-7)13-2/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyDWIYPJMMTZLIBH-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.38
Rot. Bonds1

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

4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 135041506) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID135041506
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)NCC2C
InChIInChI=1S/C8H10ClN3S/c1-4-3-10-7-5(4)6(9)11-8(12-7)13-2/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyDWIYPJMMTZLIBH-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-7-cyclohexyl-6,7-dihydro-2-(methylthio)-(5H)-pyrrolo(2,3-d)pyrimidine
CID 4653747
4-Chloro-7-cyclopropyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 56965814
4-Chloro-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidine
CID 45789731
4-Chloro-6,7-dihydro-2-(methylthio)-5H-pyrrolo(2,3-d)pyrimidine
CID 89175482
2,4-dichloro-5-fluoro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 57990359
4-chloro-7-(3,3-difluorocyclobutyl)-2-(methylsulfanyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 118436174
(6R)-4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 71467127
4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 78077285
2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 134965395
(6S)-4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 135021648
(6R)-4-chloro-6-ethyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 135041434
4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 10192635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CID 135041506) is 4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is CSc1nc(Cl)c2c(n1)NCC2C.
What is the InChIKey of 4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is DWIYPJMMTZLIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c1-4-3-10-7-5(4)6(9)11-8(12-7)13-2/h4H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 215.71 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 135041506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).