2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

C8H9N3S — CID 130614883

IUPAC2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(C)nc2[nH]ccc12
InChIInChI=1S/C8H9N3S/c1-5-10-7-6(3-4-9-7)8(11-5)12-2/h3-4H,1-2H3,(H,9,10,11)
InChIKeyOKAZPMCXPINQNG-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.99
Rot. Bonds1

About 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 130614883) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID130614883
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(C)nc2[nH]ccc12
InChIInChI=1S/C8H9N3S/c1-5-10-7-6(3-4-9-7)8(11-5)12-2/h3-4H,1-2H3,(H,9,10,11)
InChIKeyOKAZPMCXPINQNG-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 140914955
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 5324414
2-methyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 130251266
2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167880529
N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine
CID 171795791
4-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 155950676
3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 122048210
2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135500331
4-methanimidoyl-1-N-(4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)benzene-1,3-diamine;molecular hydrogen
CID 143883179
(2S)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059752
4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine
CID 89297062

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (CID 130614883) is 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is CSc1nc(C)nc2[nH]ccc12.
What is the InChIKey of 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is OKAZPMCXPINQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5-10-7-6(3-4-9-7)8(11-5)12-2/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 179.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 130614883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).