(2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol

C20H27N5O2 — CID 45485035

IUPAC(2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C20H27N5O2/c1-6-7-15(11-26)23-19-18-13(3)24-25(20(18)22-14(4)21-19)17-9-8-16(27-5)10-12(17)2/h8-10,15,26H,6-7,11H2,1-5H3,(H,21,22,23)/t15-/m1/s1
InChIKeyUSBHEELMYYNIQI-OAHLLOKOSA-N
MW369.47 g/mol
LogP3.32
Rot. Bonds7

About (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol

(2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 45485035) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID45485035
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C20H27N5O2/c1-6-7-15(11-26)23-19-18-13(3)24-25(20(18)22-14(4)21-19)17-9-8-16(27-5)10-12(17)2/h8-10,15,26H,6-7,11H2,1-5H3,(H,21,22,23)/t15-/m1/s1
InChIKeyUSBHEELMYYNIQI-OAHLLOKOSA-N
XLogP3.32
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

Pexacerfont
CID 9884366
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
(S)-4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 76282073
N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-methylbutanamide
CID 1398674
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
CID 1409797
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
CID 1414939
N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide
CID 1624464
8,9-dimethoxy-N-(3-methoxypropyl)-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010874
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166
Pyrazolo[1,5-a]-1,3,5-triazine, 12-11
CID 42618174
Pyrazolo[1,5-a]-1,3,5-triazine, 12-12
CID 42618175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 45485035) is (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol is CCC[C@H](CO)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C.
What is the InChIKey of (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is USBHEELMYYNIQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-6-7-15(11-26)23-19-18-13(3)24-25(20(18)22-14(4)21-19)17-9-8-16(27-5)10-12(17)2/h8-10,15,26H,6-7,11H2,1-5H3,(H,21,22,23)/t15-/m1/s1.
What are the key properties of (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol?
(2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 369.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 45485035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).