N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H12N6S — CID 133326050

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1cnc(CNc2ncnc3[nH]ncc23)s1
InChIInChI=1S/C11H12N6S/c1-2-7-3-12-9(18-7)5-13-10-8-4-16-17-11(8)15-6-14-10/h3-4,6H,2,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyVLUZSYGVKKGKEW-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.98
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133326050) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133326050
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1cnc(CNc2ncnc3[nH]ncc23)s1
InChIInChI=1S/C11H12N6S/c1-2-7-3-12-9(18-7)5-13-10-8-4-16-17-11(8)15-6-14-10/h3-4,6H,2,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyVLUZSYGVKKGKEW-UHFFFAOYSA-N
XLogP1.98
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133326050) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCc1cnc(CNc2ncnc3[nH]ncc23)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VLUZSYGVKKGKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c1-2-7-3-12-9(18-7)5-13-10-8-4-16-17-11(8)15-6-14-10/h3-4,6H,2,5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 260.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133326050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).