1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol

C16H19N5O2S — CID 142715265

IUPAC1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESCOc1cccc(CNc2nc(SC)nc3c2cnn3C(C)O)c1
InChIInChI=1S/C16H19N5O2S/c1-10(22)21-15-13(9-18-21)14(19-16(20-15)24-3)17-8-11-5-4-6-12(7-11)23-2/h4-7,9-10,22H,8H2,1-3H3,(H,17,19,20)
InChIKeyXNBZYXNCWLUXAQ-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.68
Rot. Bonds6

About 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol

1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol (PubChem CID 142715265) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol
PubChem CID142715265
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESCOc1cccc(CNc2nc(SC)nc3c2cnn3C(C)O)c1
InChIInChI=1S/C16H19N5O2S/c1-10(22)21-15-13(9-18-21)14(19-16(20-15)24-3)17-8-11-5-4-6-12(7-11)23-2/h4-7,9-10,22H,8H2,1-3H3,(H,17,19,20)
InChIKeyXNBZYXNCWLUXAQ-UHFFFAOYSA-N
XLogP2.68
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol with MolForge

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Related Compounds

1-benzyl-N-[(3-methoxyphenyl)methyl]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72721627
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80773948
2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 69220007
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine
CID 56969051
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
1-[2-(4-bromophenyl)-2-chloroethyl]-N-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71745299
2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80797043
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2140953
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
N-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-9-(pyridin-3-ylmethyl)-7,8-dihydropurin-6-amine
CID 154001905
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol (CID 142715265) is 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol is COc1cccc(CNc2nc(SC)nc3c2cnn3C(C)O)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is XNBZYXNCWLUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10(22)21-15-13(9-18-21)14(19-16(20-15)24-3)17-8-11-5-4-6-12(7-11)23-2/h4-7,9-10,22H,8H2,1-3H3,(H,17,19,20).
What are the key properties of 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 345.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)methylamino]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 142715265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).