6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride

C14H13Cl4N5OS — CID 135436705

IUPAC6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
SMILESCNCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1.Cl
InChIInChI=1S/C14H12Cl3N5OS.ClH/c1-18-5-9-19-12-10(13(23)20-9)14(24-2)21-22(12)11-7(16)3-6(15)4-8(11)17;/h3-4,18H,5H2,1-2H3,(H,19,20,23);1H
InChIKeyPNTYEEMHIYHSCU-UHFFFAOYSA-N
MW441.17 g/mol
LogP3.93
Rot. Bonds4

About 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride

6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride (PubChem CID 135436705) has the molecular formula C14H13Cl4N5OS and a molecular weight of 441.17 g/mol. Its IUPAC name is 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
PubChem CID135436705
Molecular FormulaC14H13Cl4N5OS
Molecular Weight441.17 g/mol
Exact Mass438.96
IUPAC Name6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
SMILESCNCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1.Cl
InChIInChI=1S/C14H12Cl3N5OS.ClH/c1-18-5-9-19-12-10(13(23)20-9)14(24-2)21-22(12)11-7(16)3-6(15)4-8(11)17;/h3-4,18H,5H2,1-2H3,(H,19,20,23);1H
InChIKeyPNTYEEMHIYHSCU-UHFFFAOYSA-N
XLogP3.93
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.17
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylsulfanyl-6-(methylsulfanylmethyl)-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135402934
methyl 3-methylsulfanyl-4-oxo-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidine-6-carboxylate
CID 135402936
4-chloro-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)pyrazolo[5,4-d]pyrimidine
CID 22004629
6-[(3-hydroxyphenyl)methyl]-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135544130
6-[[5-[(1,3-dihydroxypropan-2-ylamino)methyl]-1-methylpyrrol-2-yl]methyl]-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 162313566
3-[4-[[4-oxo-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]imidazolidine-2,4-dione
CID 135754635
1-methylsulfonyl-3-[4-[[4-oxo-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]urea
CID 135754652
6-[[4-(2-aminopropan-2-yl)-3-hydroxyphenyl]methyl]-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135754663
2-imidazol-1-yl-N-[4-[[4-oxo-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]acetamide
CID 135528525
3-propan-2-yl-6-[[4-[3-(4-propan-2-ylpiperazin-1-yl)propylsulfonylmethyl]phenyl]methyl]-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;dihydrochloride
CID 157426667
N-methyl-2-[(1-methylpiperidin-4-yl)amino]-N-[4-[[4-oxo-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]acetamide
CID 135528553
1-(4-bromo-2,6-dichlorophenyl)-6-[(3-methoxyphenyl)methyl]-3-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135966596

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride (CID 135436705) is 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride is CNCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1.Cl.
What is the InChIKey of 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride?
The InChIKey is PNTYEEMHIYHSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N5OS.ClH/c1-18-5-9-19-12-10(13(23)20-9)14(24-2)21-22(12)11-7(16)3-6(15)4-8(11)17;/h3-4,18H,5H2,1-2H3,(H,19,20,23);1H.
What are the key properties of 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride?
6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride has a molecular weight of 441.17 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 135436705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).