1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5 — CID 42889435

IUPAC1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1C(C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C15H17N5/c1-10-6-4-5-7-12(10)11(2)19-14-13-8-18-20(3)15(13)17-9-16-14/h4-9,11H,1-3H3,(H,16,17,19)
InChIKeyUGDIMBXUAQKAGK-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.84
Rot. Bonds3

About 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 42889435) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID42889435
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1C(C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C15H17N5/c1-10-6-4-5-7-12(10)11(2)19-14-13-8-18-20(3)15(13)17-9-16-14/h4-9,11H,1-3H3,(H,16,17,19)
InChIKeyUGDIMBXUAQKAGK-UHFFFAOYSA-N
XLogP2.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 26017877
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 95129741
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 103853822
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115637656
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 82939474
1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95278624
4-methyl-2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1,3-oxazole-5-carboxylic acid
CID 167858485
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115681142
1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 124612343

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 42889435) is 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccccc1C(C)Nc1ncnc2c1cnn2C.
What is the InChIKey of 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UGDIMBXUAQKAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-6-4-5-7-12(10)11(2)19-14-13-8-18-20(3)15(13)17-9-16-14/h4-9,11H,1-3H3,(H,16,17,19).
What are the key properties of 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 42889435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).