N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C16H19N5O — CID 26017877

IUPACN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(C)cc1[C@@H](C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C16H19N5O/c1-10-5-6-14(22-4)12(7-10)11(2)20-15-13-8-19-21(3)16(13)18-9-17-15/h5-9,11H,1-4H3,(H,17,18,20)/t11-/m1/s1
InChIKeyXXWDGGLXDDQLCD-LLVKDONJSA-N
MW297.36 g/mol
LogP2.85
Rot. Bonds4

About N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 26017877) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID26017877
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(C)cc1[C@@H](C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C16H19N5O/c1-10-5-6-14(22-4)12(7-10)11(2)20-15-13-8-19-21(3)16(13)18-9-17-15/h5-9,11H,1-4H3,(H,17,18,20)/t11-/m1/s1
InChIKeyXXWDGGLXDDQLCD-LLVKDONJSA-N
XLogP2.85
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 103853822
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
1-methyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86816235
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115637656
1-(2-methoxy-5-methylphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 47088427
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608
1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 82939474
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 94874302
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115681142

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 26017877) is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(C)cc1[C@@H](C)Nc1ncnc2c1cnn2C.
What is the InChIKey of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XXWDGGLXDDQLCD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-5-6-14(22-4)12(7-10)11(2)20-15-13-8-19-21(3)16(13)18-9-17-15/h5-9,11H,1-4H3,(H,17,18,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 297.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 26017877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).