N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C15H17ClN6 — CID 866540

IUPACN-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN6/c1-21(2)8-7-17-14-13-9-20-22(15(13)19-10-18-14)12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyWQGXGQWAEKQCRY-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.44
Rot. Bonds5

About N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 866540) has the molecular formula C15H17ClN6 and a molecular weight of 316.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID866540
Molecular FormulaC15H17ClN6
Molecular Weight316.80 g/mol
Exact Mass316.12
IUPAC NameN-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN6/c1-21(2)8-7-17-14-13-9-20-22(15(13)19-10-18-14)12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyWQGXGQWAEKQCRY-UHFFFAOYSA-N
XLogP2.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

L-745870
CID 5311200
2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
NS13001
CID 44472568
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 8
CID 5327824
3,4-Bis((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327825
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 18
CID 5327834
4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 40504628

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 866540) is N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is WQGXGQWAEKQCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6/c1-21(2)8-7-17-14-13-9-20-22(15(13)19-10-18-14)12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 316.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 866540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).