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

C15H17N5O — CID 17453140

IUPAC1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(OCCNc2ncnc3c2cnn3C)c1
InChIInChI=1S/C15H17N5O/c1-11-4-3-5-12(8-11)21-7-6-16-14-13-9-19-20(2)15(13)18-10-17-14/h3-5,8-10H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyUYWPBIHXJIJDQN-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.16
Rot. Bonds5

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

1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 17453140) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID17453140
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(OCCNc2ncnc3c2cnn3C)c1
InChIInChI=1S/C15H17N5O/c1-11-4-3-5-12(8-11)21-7-6-16-14-13-9-19-20(2)15(13)18-10-17-14/h3-5,8-10H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyUYWPBIHXJIJDQN-UHFFFAOYSA-N
XLogP2.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 26019686
N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
CID 12928959
N-(3-butoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431867
6-chloro-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-4,5-diamine
CID 55134533
1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86808230
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 115306725
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115320078
1-N,3-N-dihydroxy-5-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethoxycarbonyl]benzene-1,3-diamine oxide
CID 163126757

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 17453140) is 1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(OCCNc2ncnc3c2cnn3C)c1.
What is the InChIKey of 1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UYWPBIHXJIJDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-4-3-5-12(8-11)21-7-6-16-14-13-9-19-20(2)15(13)18-10-17-14/h3-5,8-10H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 283.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17453140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).