2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

C14H15ClN6O — CID 7216354

IUPAC2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCn1ncc2c(NCCO)nc(Nc3cccc(Cl)c3)nc21
InChIInChI=1S/C14H15ClN6O/c1-21-13-11(8-17-21)12(16-5-6-22)19-14(20-13)18-10-4-2-3-9(15)7-10/h2-4,7-8,22H,5-6H2,1H3,(H2,16,18,19,20)
InChIKeyBYXMHZHQKLWJQG-UHFFFAOYSA-N
MW318.77 g/mol
LogP2.16
Rot. Bonds5

About 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 7216354) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
PubChem CID7216354
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCn1ncc2c(NCCO)nc(Nc3cccc(Cl)c3)nc21
InChIInChI=1S/C14H15ClN6O/c1-21-13-11(8-17-21)12(16-5-6-22)19-14(20-13)18-10-4-2-3-9(15)7-10/h2-4,7-8,22H,5-6H2,1H3,(H2,16,18,19,20)
InChIKeyBYXMHZHQKLWJQG-UHFFFAOYSA-N
XLogP2.16
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3-chlorophenyl)-6-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545698
2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 8547730
2-[[6-(3,4-dimethoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7162561
6-N-(3-chlorophenyl)-4-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7162513
4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 20959289
2-[[1-methyl-4-[(3-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 50795443
4-N-benzyl-6-N-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8547337
6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134158228
6-N-(3,4-dimethylphenyl)-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545365
4-N-(2,2-difluoroethyl)-6-N-(3,4-difluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134158219
6-N-(2-methoxyethyl)-4-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50758354
2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 8547521

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (CID 7216354) is 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is Cn1ncc2c(NCCO)nc(Nc3cccc(Cl)c3)nc21.
What is the InChIKey of 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is BYXMHZHQKLWJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-21-13-11(8-17-21)12(16-5-6-22)19-14(20-13)18-10-4-2-3-9(15)7-10/h2-4,7-8,22H,5-6H2,1H3,(H2,16,18,19,20).
What are the key properties of 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 318.77 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 7216354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).