4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine

C14H13ClN4S — CID 63221496

IUPAC4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine
SMILESCc1cccc(SCc2nc(Cl)c3cnn(C)c3n2)c1
InChIInChI=1S/C14H13ClN4S/c1-9-4-3-5-10(6-9)20-8-12-17-13(15)11-7-16-19(2)14(11)18-12/h3-7H,8H2,1-2H3
InChIKeyUPGQKGIGSMADOB-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.62
Rot. Bonds3

About 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine

4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 63221496) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine
PubChem CID63221496
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine
SMILESCc1cccc(SCc2nc(Cl)c3cnn(C)c3n2)c1
InChIInChI=1S/C14H13ClN4S/c1-9-4-3-5-10(6-9)20-8-12-17-13(15)11-7-16-19(2)14(11)18-12/h3-7H,8H2,1-2H3
InChIKeyUPGQKGIGSMADOB-UHFFFAOYSA-N
XLogP3.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221358
4,6-dichloro-5-fluoro-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 80550367
4-chloro-6-[(2,6-dichlorophenoxy)methyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221035
4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 103288170
4-chloro-1-methyl-6-(pyrazin-2-ylsulfanylmethyl)pyrazolo[5,4-d]pyrimidine
CID 55249476
4-chloro-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]-5-propan-2-ylpyrimidine
CID 66087152
4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 66087347
4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 65124658
5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66087015
6-[(2,5-dichlorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221154
5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62886010
2-[(3-methylphenyl)sulfanylmethyl]pyrimidine-5-carbaldehyde
CID 66088379

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine (CID 63221496) is 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine is Cc1cccc(SCc2nc(Cl)c3cnn(C)c3n2)c1.
What is the InChIKey of 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is UPGQKGIGSMADOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c1-9-4-3-5-10(6-9)20-8-12-17-13(15)11-7-16-19(2)14(11)18-12/h3-7H,8H2,1-2H3.
What are the key properties of 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine?
4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 304.81 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 63221496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).