3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C18H15N5O — CID 154131553

IUPAC3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Oc2ccccc2)ccc1-c1[nH]nc2ncnc(N)c12
InChIInChI=1S/C18H15N5O/c1-11-9-13(24-12-5-3-2-4-6-12)7-8-14(11)16-15-17(19)20-10-21-18(15)23-22-16/h2-10H,1H3,(H3,19,20,21,22,23)
InChIKeyGHRZQTZWHDCBNY-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.70
Rot. Bonds3

About 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 154131553) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID154131553
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Oc2ccccc2)ccc1-c1[nH]nc2ncnc(N)c12
InChIInChI=1S/C18H15N5O/c1-11-9-13(24-12-5-3-2-4-6-12)7-8-14(11)16-15-17(19)20-10-21-18(15)23-22-16/h2-10H,1H3,(H3,19,20,21,22,23)
InChIKeyGHRZQTZWHDCBNY-UHFFFAOYSA-N
XLogP3.70
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 130454662
3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905255
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 178016203
5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141348837
3-[5-(phenoxymethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 130342584
1-ethenylsulfonyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 161062777
3-(3,5-difluoro-4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 66580326
ethane;2-methoxy-2-methylpropane;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;4-piperidin-1-ylpiperidine-1-carbaldehyde
CID 167479551
(E)-4-methyl-2-(piperidine-1-carbonyl)pent-2-enenitrile;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 144566233
2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71014081
3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53234528
3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 123666078

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 154131553) is 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(Oc2ccccc2)ccc1-c1[nH]nc2ncnc(N)c12.
What is the InChIKey of 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GHRZQTZWHDCBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-9-13(24-12-5-3-2-4-6-12)7-8-14(11)16-15-17(19)20-10-21-18(15)23-22-16/h2-10H,1H3,(H3,19,20,21,22,23).
What are the key properties of 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 317.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154131553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).