1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H16N6S — CID 70729792

IUPAC1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCSC3)nc(-c3ccncc3)nc21
InChIInChI=1S/C15H16N6S/c1-21-15-12(8-17-21)14(18-11-4-7-22-9-11)19-13(20-15)10-2-5-16-6-3-10/h2-3,5-6,8,11H,4,7,9H2,1H3,(H,18,19,20)
InChIKeySRXJBZZFGQSTQZ-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.34
Rot. Bonds3

About 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70729792) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70729792
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC Name1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCSC3)nc(-c3ccncc3)nc21
InChIInChI=1S/C15H16N6S/c1-21-15-12(8-17-21)14(18-11-4-7-22-9-11)19-13(20-15)10-2-5-16-6-3-10/h2-3,5-6,8,11H,4,7,9H2,1H3,(H,18,19,20)
InChIKeySRXJBZZFGQSTQZ-UHFFFAOYSA-N
XLogP2.34
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 70729792) is 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NC3CCSC3)nc(-c3ccncc3)nc21.
What is the InChIKey of 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SRXJBZZFGQSTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6S/c1-21-15-12(8-17-21)14(18-11-4-7-22-9-11)19-13(20-15)10-2-5-16-6-3-10/h2-3,5-6,8,11H,4,7,9H2,1H3,(H,18,19,20).
What are the key properties of 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-pyridin-4-yl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70729792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).