N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

C11H12N6S — CID 47406313

IUPACN,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1cscn1)c1ncnc2c1cnn2C
InChIInChI=1S/C11H12N6S/c1-16(4-8-5-18-7-14-8)10-9-3-15-17(2)11(9)13-6-12-10/h3,5-7H,4H2,1-2H3
InChIKeyGRXDIGJKCRBREK-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.46
Rot. Bonds3

About N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 47406313) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID47406313
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC NameN,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1cscn1)c1ncnc2c1cnn2C
InChIInChI=1S/C11H12N6S/c1-16(4-8-5-18-7-14-8)10-9-3-15-17(2)11(9)13-6-12-10/h3,5-7H,4H2,1-2H3
InChIKeyGRXDIGJKCRBREK-UHFFFAOYSA-N
XLogP1.46
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 47406313) is N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is CN(Cc1cscn1)c1ncnc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GRXDIGJKCRBREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c1-16(4-8-5-18-7-14-8)10-9-3-15-17(2)11(9)13-6-12-10/h3,5-7H,4H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 260.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 47406313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).