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

C13H16N6S — CID 115681142

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1cnc(C(C)Nc2ncnc3c2cnn3C)s1
InChIInChI=1S/C13H16N6S/c1-4-9-5-14-13(20-9)8(2)18-11-10-6-17-19(3)12(10)16-7-15-11/h5-8H,4H2,1-3H3,(H,15,16,18)
InChIKeyCDJLVBXXEWOKII-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.56
Rot. Bonds4

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

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 115681142) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID115681142
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1cnc(C(C)Nc2ncnc3c2cnn3C)s1
InChIInChI=1S/C13H16N6S/c1-4-9-5-14-13(20-9)8(2)18-11-10-6-17-19(3)12(10)16-7-15-11/h5-8H,4H2,1-3H3,(H,15,16,18)
InChIKeyCDJLVBXXEWOKII-UHFFFAOYSA-N
XLogP2.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115637656
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 113387588
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 82939474
N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 62046967
1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 103853822
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one
CID 113251679
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 115681142) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1cnc(C(C)Nc2ncnc3c2cnn3C)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CDJLVBXXEWOKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-4-9-5-14-13(20-9)8(2)18-11-10-6-17-19(3)12(10)16-7-15-11/h5-8H,4H2,1-3H3,(H,15,16,18).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 115681142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).