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

C10H10N6S — CID 49430854

IUPAC1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3cscn3)ncnc21
InChIInChI=1S/C10H10N6S/c1-16-10-8(3-15-16)9(12-5-13-10)11-2-7-4-17-6-14-7/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyKHHZHKYLYSZHBQ-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.43
Rot. Bonds3

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

1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 49430854) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID49430854
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3cscn3)ncnc21
InChIInChI=1S/C10H10N6S/c1-16-10-8(3-15-16)9(12-5-13-10)11-2-7-4-17-6-14-7/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyKHHZHKYLYSZHBQ-UHFFFAOYSA-N
XLogP1.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 49430854) is 1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCc3cscn3)ncnc21.
What is the InChIKey of 1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KHHZHKYLYSZHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-16-10-8(3-15-16)9(12-5-13-10)11-2-7-4-17-6-14-7/h3-6H,2H2,1H3,(H,11,12,13).
What are the key properties of 1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 246.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 49430854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).