4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine

C13H17N5S — CID 71427413

IUPAC4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine
SMILESCNC1CCN(c2cc(-c3cccs3)nc(N)n2)C1
InChIInChI=1S/C13H17N5S/c1-15-9-4-5-18(8-9)12-7-10(16-13(14)17-12)11-3-2-6-19-11/h2-3,6-7,9,15H,4-5,8H2,1H3,(H2,14,16,17)
InChIKeyLPQJIJSNDQNBQL-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.59
Rot. Bonds3

About 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine

4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 71427413) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID71427413
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine
SMILESCNC1CCN(c2cc(-c3cccs3)nc(N)n2)C1
InChIInChI=1S/C13H17N5S/c1-15-9-4-5-18(8-9)12-7-10(16-13(14)17-12)11-3-2-6-19-11/h2-3,6-7,9,15H,4-5,8H2,1H3,(H2,14,16,17)
InChIKeyLPQJIJSNDQNBQL-UHFFFAOYSA-N
XLogP1.59
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine (CID 71427413) is 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine is CNC1CCN(c2cc(-c3cccs3)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is LPQJIJSNDQNBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-15-9-4-5-18(8-9)12-7-10(16-13(14)17-12)11-3-2-6-19-11/h2-3,6-7,9,15H,4-5,8H2,1H3,(H2,14,16,17).
What are the key properties of 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine?
4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 275.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 71427413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).