3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol

C16H19ClN6O — CID 122159784

IUPAC3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol
SMILESCn1ncc2c(N)nc(N(CCCO)Cc3cccc(Cl)c3)nc21
InChIInChI=1S/C16H19ClN6O/c1-22-15-13(9-19-22)14(18)20-16(21-15)23(6-3-7-24)10-11-4-2-5-12(17)8-11/h2,4-5,8-9,24H,3,6-7,10H2,1H3,(H2,18,20,21)
InChIKeyQOAMLXXXCVEYBZ-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.99
Rot. Bonds6

About 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol

3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol (PubChem CID 122159784) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol
PubChem CID122159784
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol
SMILESCn1ncc2c(N)nc(N(CCCO)Cc3cccc(Cl)c3)nc21
InChIInChI=1S/C16H19ClN6O/c1-22-15-13(9-19-22)14(18)20-16(21-15)23(6-3-7-24)10-11-4-2-5-12(17)8-11/h2,4-5,8-9,24H,3,6-7,10H2,1H3,(H2,18,20,21)
InChIKeyQOAMLXXXCVEYBZ-UHFFFAOYSA-N
XLogP1.99
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol with MolForge

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Related Compounds

N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
1-(4-chlorobenzyl)-4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 929952
N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 3256374
1-(4-chlorobenzyl)-N,N-diethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 895460
N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 930586
1-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 930787
6-(3-Chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 7709801
1-(4-chlorobenzyl)-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8071339
1-(2-chlorobenzyl)-N-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8072246
1-(2-chlorobenzyl)-N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8072452
1-((4-(benzylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)propan-2-ol
CID 16456797
4-(4-(4-chlorobenzyl)piperazin-1-yl)-1-(4-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 661985

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol (CID 122159784) is 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol is Cn1ncc2c(N)nc(N(CCCO)Cc3cccc(Cl)c3)nc21.
What is the InChIKey of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol?
The InChIKey is QOAMLXXXCVEYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-22-15-13(9-19-22)14(18)20-16(21-15)23(6-3-7-24)10-11-4-2-5-12(17)8-11/h2,4-5,8-9,24H,3,6-7,10H2,1H3,(H2,18,20,21).
What are the key properties of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol?
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol has a molecular weight of 346.82 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-[(3-chlorophenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 122159784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).