N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide

C14H14N6O — CID 43215057

IUPACN-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
SMILESCNC(=O)CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H14N6O/c1-15-12(21)8-16-13-11-7-19-20(14(11)18-9-17-13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,21)(H,16,17,18)
InChIKeyXKXVQNZEQRIUAQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.97
Rot. Bonds4

About N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide

N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 43215057) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
PubChem CID43215057
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
SMILESCNC(=O)CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H14N6O/c1-15-12(21)8-16-13-11-7-19-20(14(11)18-9-17-13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,21)(H,16,17,18)
InChIKeyXKXVQNZEQRIUAQ-UHFFFAOYSA-N
XLogP0.97
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 133306905
N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 866514
4-[4-(3-hydroxypropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzoic acid
CID 84818478
2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 166186833
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide (CID 43215057) is N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide is CNC(=O)CNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is XKXVQNZEQRIUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-15-12(21)8-16-13-11-7-19-20(14(11)18-9-17-13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,21)(H,16,17,18).
What are the key properties of N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide?
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 282.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 43215057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).