N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine

C14H22N6 — CID 141189524

IUPACN-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ncc2cn(C3CCCC3)nc2n1
InChIInChI=1S/C14H22N6/c1-19(2)8-7-15-14-16-9-11-10-20(18-13(11)17-14)12-5-3-4-6-12/h9-10,12H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyCXTRSLJYXQIINX-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.91
Rot. Bonds5

About N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine

N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 141189524) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID141189524
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ncc2cn(C3CCCC3)nc2n1
InChIInChI=1S/C14H22N6/c1-19(2)8-7-15-14-16-9-11-10-20(18-13(11)17-14)12-5-3-4-6-12/h9-10,12H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyCXTRSLJYXQIINX-UHFFFAOYSA-N
XLogP1.91
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
N-(4-methylsulfanylphenyl)-2-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 172599842
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42282672
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151
N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166265
N-(2-methoxyethyl)-2-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 141189552
N-(3-morpholin-4-ylpropyl)-2-propylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141189467
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
CID 3613650
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine (CID 141189524) is N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ncc2cn(C3CCCC3)nc2n1.
What is the InChIKey of N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CXTRSLJYXQIINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-19(2)8-7-15-14-16-9-11-10-20(18-13(11)17-14)12-5-3-4-6-12/h9-10,12H,3-8H2,1-2H3,(H,15,17,18).
What are the key properties of N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine?
N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-6-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 141189524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).