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

C8H10ClN3S — CID 134965395

IUPAC2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(Cl)nc2c1C(C)CN2
InChIInChI=1S/C8H10ClN3S/c1-4-3-10-6-5(4)7(13-2)12-8(9)11-6/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyKEMWINVDQBINAH-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.38
Rot. Bonds1

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

2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 134965395) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID134965395
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(Cl)nc2c1C(C)CN2
InChIInChI=1S/C8H10ClN3S/c1-4-3-10-6-5(4)7(13-2)12-8(9)11-6/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyKEMWINVDQBINAH-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CID 134965395) is 2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is CSc1nc(Cl)nc2c1C(C)CN2.
What is the InChIKey of 2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is KEMWINVDQBINAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c1-4-3-10-6-5(4)7(13-2)12-8(9)11-6/h4H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
2-chloro-5-methyl-4-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 2-chloro-5-methyl-4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 134965395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).