1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C14H17N5S — CID 78962999

IUPAC1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC(C)(C)c3cccs3)ncnc21
InChIInChI=1S/C14H17N5S/c1-14(2,11-5-4-6-20-11)8-15-12-10-7-18-19(3)13(10)17-9-16-12/h4-7,9H,8H2,1-3H3,(H,15,16,17)
InChIKeyDNBUXXXVDZMPNV-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.81
Rot. Bonds4

About 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 78962999) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID78962999
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC(C)(C)c3cccs3)ncnc21
InChIInChI=1S/C14H17N5S/c1-14(2,11-5-4-6-20-11)8-15-12-10-7-18-19(3)13(10)17-9-16-12/h4-7,9H,8H2,1-3H3,(H,15,16,17)
InChIKeyDNBUXXXVDZMPNV-UHFFFAOYSA-N
XLogP2.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 78962999) is 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCC(C)(C)c3cccs3)ncnc21.
What is the InChIKey of 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DNBUXXXVDZMPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-14(2,11-5-4-6-20-11)8-15-12-10-7-18-19(3)13(10)17-9-16-12/h4-7,9H,8H2,1-3H3,(H,15,16,17).
What are the key properties of 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 78962999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).