4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

C16H17N3S — CID 24875570

IUPAC4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(-c2ccc(C)cc2C)c2c(C)c[nH]c2n1
InChIInChI=1S/C16H17N3S/c1-9-5-6-12(10(2)7-9)14-13-11(3)8-17-15(13)19-16(18-14)20-4/h5-8H,1-4H3,(H,17,18,19)
InChIKeySGXHNHKCXZJMNF-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.27
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 24875570) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID24875570
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(-c2ccc(C)cc2C)c2c(C)c[nH]c2n1
InChIInChI=1S/C16H17N3S/c1-9-5-6-12(10(2)7-9)14-13-11(3)8-17-15(13)19-16(18-14)20-4/h5-8H,1-4H3,(H,17,18,19)
InChIKeySGXHNHKCXZJMNF-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (CID 24875570) is 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is CSc1nc(-c2ccc(C)cc2C)c2c(C)c[nH]c2n1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is SGXHNHKCXZJMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-9-5-6-12(10(2)7-9)14-13-11(3)8-17-15(13)19-16(18-14)20-4/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 283.40 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 24875570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).