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

C13H12N6O — CID 43235572

IUPAC2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H12N6O/c14-11(20)7-15-12-10-6-18-19(13(10)17-8-16-12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,14,20)(H,15,16,17)
InChIKeyDDCQVJDPWBRERD-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.71
Rot. Bonds4

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

2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 43235572) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
PubChem CID43235572
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H12N6O/c14-11(20)7-15-12-10-6-18-19(13(10)17-8-16-12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,14,20)(H,15,16,17)
InChIKeyDDCQVJDPWBRERD-UHFFFAOYSA-N
XLogP0.71
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
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
2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 166186833
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 866514
S-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl) carbamothioate
CID 88782245
4-[4-(3-hydroxypropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzoic acid
CID 84818478
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 133306905
4-[[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 108777718

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide (CID 43235572) is 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide is NC(=O)CNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is DDCQVJDPWBRERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-11(20)7-15-12-10-6-18-19(13(10)17-8-16-12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,14,20)(H,15,16,17).
What are the key properties of 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide?
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 43235572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).