N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C10H11N7S — CID 107784942

IUPACN-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(Sc2ncc[nH]2)c2cn[nH]c2n1
InChIInChI=1S/C10H11N7S/c1-2-11-9-15-7-6(5-14-17-7)8(16-9)18-10-12-3-4-13-10/h3-5H,2H2,1H3,(H,12,13)(H2,11,14,15,16,17)
InChIKeyROZUWDFBOAWOCO-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.66
Rot. Bonds4

About N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 107784942) has the molecular formula C10H11N7S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID107784942
Molecular FormulaC10H11N7S
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC NameN-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(Sc2ncc[nH]2)c2cn[nH]c2n1
InChIInChI=1S/C10H11N7S/c1-2-11-9-15-7-6(5-14-17-7)8(16-9)18-10-12-3-4-13-10/h3-5H,2H2,1H3,(H,12,13)(H2,11,14,15,16,17)
InChIKeyROZUWDFBOAWOCO-UHFFFAOYSA-N
XLogP1.66
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957
5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784969
5-bromo-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784857
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106928233
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 114001333
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 104830500
4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 114001337
4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107765545
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
CID 83178553
2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 103334011
4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 114158228

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 107784942) is N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CCNc1nc(Sc2ncc[nH]2)c2cn[nH]c2n1.
What is the InChIKey of N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is ROZUWDFBOAWOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7S/c1-2-11-9-15-7-6(5-14-17-7)8(16-9)18-10-12-3-4-13-10/h3-5H,2H2,1H3,(H,12,13)(H2,11,14,15,16,17).
What are the key properties of N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 261.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 107784942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).