6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile

C14H11Cl2N7 — CID 166660934

IUPAC6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(NCCN)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C14H11Cl2N7/c15-8-3-1-2-7(11(8)16)12-10-9(6-18)20-14(19-5-4-17)21-13(10)23-22-12/h1-3H,4-5,17H2,(H2,19,20,21,22,23)
InChIKeyPEGJOQMBEHMCKO-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.57
Rot. Bonds4

About 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile

6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile (PubChem CID 166660934) has the molecular formula C14H11Cl2N7 and a molecular weight of 348.20 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
PubChem CID166660934
Molecular FormulaC14H11Cl2N7
Molecular Weight348.20 g/mol
Exact Mass347.05
IUPAC Name6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(NCCN)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C14H11Cl2N7/c15-8-3-1-2-7(11(8)16)12-10-9(6-18)20-14(19-5-4-17)21-13(10)23-22-12/h1-3H,4-5,17H2,(H2,19,20,21,22,23)
InChIKeyPEGJOQMBEHMCKO-UHFFFAOYSA-N
XLogP2.57
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
The IUPAC name of 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile (CID 166660934) is 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile is N#Cc1nc(NCCN)nc2n[nH]c(-c3cccc(Cl)c3Cl)c12.
What is the InChIKey of 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
The InChIKey is PEGJOQMBEHMCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N7/c15-8-3-1-2-7(11(8)16)12-10-9(6-18)20-14(19-5-4-17)21-13(10)23-22-12/h1-3H,4-5,17H2,(H2,19,20,21,22,23).
What are the key properties of 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile?
6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile has a molecular weight of 348.20 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile is sourced from PubChem (CID 166660934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).