3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C9H10N8 — CID 168968543

IUPAC3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1cnc(-c2[nH]nc3nc(N)nc(N)c23)c1
InChIInChI=1S/C9H10N8/c1-17-2-4(12-3-17)6-5-7(10)13-9(11)14-8(5)16-15-6/h2-3H,1H3,(H5,10,11,13,14,15,16)
InChIKeyXXSKORQHECIEBM-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.08
Rot. Bonds1

About 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 168968543) has the molecular formula C9H10N8 and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID168968543
Molecular FormulaC9H10N8
Molecular Weight230.24 g/mol
Exact Mass230.10
IUPAC Name3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1cnc(-c2[nH]nc3nc(N)nc(N)c23)c1
InChIInChI=1S/C9H10N8/c1-17-2-4(12-3-17)6-5-7(10)13-9(11)14-8(5)16-15-6/h2-3H,1H3,(H5,10,11,13,14,15,16)
InChIKeyXXSKORQHECIEBM-UHFFFAOYSA-N
XLogP-0.08
TPSA124.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 168968543) is 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1cnc(-c2[nH]nc3nc(N)nc(N)c23)c1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is XXSKORQHECIEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N8/c1-17-2-4(12-3-17)6-5-7(10)13-9(11)14-8(5)16-15-6/h2-3H,1H3,(H5,10,11,13,14,15,16).
What are the key properties of 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 230.24 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 168968543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).