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

C13H16N6S — CID 47406352

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1nc(CN(C)c2ncnc3c2cnn3C)cs1
InChIInChI=1S/C13H16N6S/c1-4-11-17-9(7-20-11)6-18(2)12-10-5-16-19(3)13(10)15-8-14-12/h5,7-8H,4,6H2,1-3H3
InChIKeyWGNXJSFSTMVVMP-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.02
Rot. Bonds4

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 47406352) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID47406352
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1nc(CN(C)c2ncnc3c2cnn3C)cs1
InChIInChI=1S/C13H16N6S/c1-4-11-17-9(7-20-11)6-18(2)12-10-5-16-19(3)13(10)15-8-14-12/h5,7-8H,4,6H2,1-3H3
InChIKeyWGNXJSFSTMVVMP-UHFFFAOYSA-N
XLogP2.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 47406352) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is CCc1nc(CN(C)c2ncnc3c2cnn3C)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is WGNXJSFSTMVVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-4-11-17-9(7-20-11)6-18(2)12-10-5-16-19(3)13(10)15-8-14-12/h5,7-8H,4,6H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 47406352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).