N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C20H27N5O2 — CID 45485009

IUPACN-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@@H](COC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C20H27N5O2/c1-7-15(11-26-5)23-19-18-13(3)24-25(20(18)22-14(4)21-19)17-9-8-16(27-6)10-12(17)2/h8-10,15H,7,11H2,1-6H3,(H,21,22,23)/t15-/m0/s1
InChIKeyYTAPRWQKBIKNCJ-HNNXBMFYSA-N
MW369.47 g/mol
LogP3.59
Rot. Bonds7

About N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 45485009) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID45485009
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@@H](COC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C20H27N5O2/c1-7-15(11-26-5)23-19-18-13(3)24-25(20(18)22-14(4)21-19)17-9-8-16(27-6)10-12(17)2/h8-10,15H,7,11H2,1-6H3,(H,21,22,23)/t15-/m0/s1
InChIKeyYTAPRWQKBIKNCJ-HNNXBMFYSA-N
XLogP3.59
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 45485009) is N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CC[C@@H](COC)Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C.
What is the InChIKey of N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YTAPRWQKBIKNCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-7-15(11-26-5)23-19-18-13(3)24-25(20(18)22-14(4)21-19)17-9-8-16(27-6)10-12(17)2/h8-10,15H,7,11H2,1-6H3,(H,21,22,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxybutan-2-yl]-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 45485009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).