N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C15H13N5S2 — CID 86777756

IUPACN-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC(c3cccs3)c3cccs3)ncnc21
InChIInChI=1S/C15H13N5S2/c1-20-15-10(8-18-20)14(16-9-17-15)19-13(11-4-2-6-21-11)12-5-3-7-22-12/h2-9,13H,1H3,(H,16,17,19)
InChIKeyGVHKSVDEMKHFRH-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.69
Rot. Bonds4

About N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86777756) has the molecular formula C15H13N5S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86777756
Molecular FormulaC15H13N5S2
Molecular Weight327.44 g/mol
Exact Mass327.06
IUPAC NameN-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC(c3cccs3)c3cccs3)ncnc21
InChIInChI=1S/C15H13N5S2/c1-20-15-10(8-18-20)14(16-9-17-15)19-13(11-4-2-6-21-11)12-5-3-7-22-12/h2-9,13H,1H3,(H,16,17,19)
InChIKeyGVHKSVDEMKHFRH-UHFFFAOYSA-N
XLogP3.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 86777756) is N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NC(c3cccs3)c3cccs3)ncnc21.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GVHKSVDEMKHFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S2/c1-20-15-10(8-18-20)14(16-9-17-15)19-13(11-4-2-6-21-11)12-5-3-7-22-12/h2-9,13H,1H3,(H,16,17,19).
What are the key properties of N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).