6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine

C13H15N3S — CID 63354572

IUPAC6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2cccs2)n1
InChIInChI=1S/C13H15N3S/c1-2-14-12-8-10(9-5-6-9)15-13(16-12)11-4-3-7-17-11/h3-4,7-9H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyVXMLWSDBFMPSAT-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.51
Rot. Bonds4

About 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine

6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine (PubChem CID 63354572) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
PubChem CID63354572
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2cccs2)n1
InChIInChI=1S/C13H15N3S/c1-2-14-12-8-10(9-5-6-9)15-13(16-12)11-4-3-7-17-11/h3-4,7-9H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyVXMLWSDBFMPSAT-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine (CID 63354572) is 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine is CCNc1cc(C2CC2)nc(-c2cccs2)n1.
What is the InChIKey of 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is VXMLWSDBFMPSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-14-12-8-10(9-5-6-9)15-13(16-12)11-4-3-7-17-11/h3-4,7-9H,2,5-6H2,1H3,(H,14,15,16).
What are the key properties of 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine?
6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63354572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).