1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine

C19H17N5S — CID 7162113

IUPAC1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(SCc4ccccn4)ncnc32)c(C)c1
InChIInChI=1S/C19H17N5S/c1-13-6-7-17(14(2)9-13)24-18-16(10-23-24)19(22-12-21-18)25-11-15-5-3-4-8-20-15/h3-10,12H,11H2,1-2H3
InChIKeyUUFHLQAYRSNGID-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.12
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine

1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 7162113) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
PubChem CID7162113
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(SCc4ccccn4)ncnc32)c(C)c1
InChIInChI=1S/C19H17N5S/c1-13-6-7-17(14(2)9-13)24-18-16(10-23-24)19(22-12-21-18)25-11-15-5-3-4-8-20-15/h3-10,12H,11H2,1-2H3
InChIKeyUUFHLQAYRSNGID-UHFFFAOYSA-N
XLogP4.12
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine (CID 7162113) is 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine is Cc1ccc(-n2ncc3c(SCc4ccccn4)ncnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is UUFHLQAYRSNGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-13-6-7-17(14(2)9-13)24-18-16(10-23-24)19(22-12-21-18)25-11-15-5-3-4-8-20-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 347.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 7162113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).