N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine

C19H17N5O — CID 133423276

IUPACN-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(OCc1ccccc1)c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C19H17N5O/c1-23(25-13-15-8-4-2-5-9-15)18-17-12-22-24(19(17)21-14-20-18)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3
InChIKeyWORJFNLWWSWWJH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.38
Rot. Bonds5

About N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine

N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133423276) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133423276
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(OCc1ccccc1)c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C19H17N5O/c1-23(25-13-15-8-4-2-5-9-15)18-17-12-22-24(19(17)21-14-20-18)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3
InChIKeyWORJFNLWWSWWJH-UHFFFAOYSA-N
XLogP3.38
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137276018
N-(2-cyclopropylethyl)-N-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133398554
N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 5189840
N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133279240
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133308530
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]benzonitrile
CID 2478656
2-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-2-amine
CID 64538208
N,N-diethyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 7205366
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 99154660
N-[3-(ethoxymethyl)phenyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133285439
1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017634

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine (CID 133423276) is N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine is CN(OCc1ccccc1)c1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is WORJFNLWWSWWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-23(25-13-15-8-4-2-5-9-15)18-17-12-22-24(19(17)21-14-20-18)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine?
N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133423276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).