6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C13H18N8 — CID 103012320

IUPAC6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(NCCc2ccnn2C)c2cn[nH]c2n1
InChIInChI=1S/C13H18N8/c1-3-14-13-18-11(10-8-16-20-12(10)19-13)15-6-4-9-5-7-17-21(9)2/h5,7-8H,3-4,6H2,1-2H3,(H3,14,15,16,18,19,20)
InChIKeyJDHZIAUINATPRY-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.17
Rot. Bonds6

About 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 103012320) has the molecular formula C13H18N8 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID103012320
Molecular FormulaC13H18N8
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(NCCc2ccnn2C)c2cn[nH]c2n1
InChIInChI=1S/C13H18N8/c1-3-14-13-18-11(10-8-16-20-12(10)19-13)15-6-4-9-5-7-17-21(9)2/h5,7-8H,3-4,6H2,1-2H3,(H3,14,15,16,18,19,20)
InChIKeyJDHZIAUINATPRY-UHFFFAOYSA-N
XLogP1.17
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106412206
2-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethyl carbamate
CID 83215771
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 104830500
2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327733
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
CID 83178553
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
CID 114785175
6-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidin-4-amine
CID 103012689
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358379
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106424196
2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 103011096
2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001281

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 103012320) is 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCNc1nc(NCCc2ccnn2C)c2cn[nH]c2n1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is JDHZIAUINATPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8/c1-3-14-13-18-11(10-8-16-20-12(10)19-13)15-6-4-9-5-7-17-21(9)2/h5,7-8H,3-4,6H2,1-2H3,(H3,14,15,16,18,19,20).
What are the key properties of 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 286.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 103012320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).