4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

C9H12N6O3 — CID 516155

IUPAC4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1nn(COCCO)c2ncnc(N)c12
InChIInChI=1S/C9H12N6O3/c10-7-5-6(8(11)17)14-15(4-18-2-1-16)9(5)13-3-12-7/h3,16H,1-2,4H2,(H2,11,17)(H2,10,12,13)
InChIKeyNMZGBZABPKSEDU-UHFFFAOYSA-N
MW252.23 g/mol
LogP-1.53
Rot. Bonds5

About 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 516155) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID516155
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1nn(COCCO)c2ncnc(N)c12
InChIInChI=1S/C9H12N6O3/c10-7-5-6(8(11)17)14-15(4-18-2-1-16)9(5)13-3-12-7/h3,16H,1-2,4H2,(H2,11,17)(H2,10,12,13)
InChIKeyNMZGBZABPKSEDU-UHFFFAOYSA-N
XLogP-1.53
TPSA142.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-3-carboxamido-1-(beta-ribofuranosyl)pyrazolo(3,4-d)pyrimidine
CID 98801
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 46873872
1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)methyl)-
CID 3007214
6-Amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 118732278
6-Amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 118732279
1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 4-amino-1-((2-hydroxyethoxy)methyl)-
CID 516156
4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 296444
4-Amino-1-methyl-1h-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 275455
4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 59633528
4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde
CID 59633654
4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde
CID 127263706
4-Amino-1-cyclopentylpyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 134173713

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 516155) is 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is NC(=O)c1nn(COCCO)c2ncnc(N)c12.
What is the InChIKey of 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is NMZGBZABPKSEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c10-7-5-6(8(11)17)14-15(4-18-2-1-16)9(5)13-3-12-7/h3,16H,1-2,4H2,(H2,11,17)(H2,10,12,13).
What are the key properties of 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 252.23 g/mol, XLogP of -1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 516155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).