4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C13H11N3OS — CID 164609616

IUPAC4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESc1coc(-c2ccnc(NCc3cccs3)n2)c1
InChIInChI=1S/C13H11N3OS/c1-4-12(17-7-1)11-5-6-14-13(16-11)15-9-10-3-2-8-18-10/h1-8H,9H2,(H,14,15,16)
InChIKeyWLFOKQUSWYETGR-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.41
Rot. Bonds4

About 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 164609616) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID164609616
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESc1coc(-c2ccnc(NCc3cccs3)n2)c1
InChIInChI=1S/C13H11N3OS/c1-4-12(17-7-1)11-5-6-14-13(16-11)15-9-10-3-2-8-18-10/h1-8H,9H2,(H,14,15,16)
InChIKeyWLFOKQUSWYETGR-UHFFFAOYSA-N
XLogP3.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 164609616) is 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is c1coc(-c2ccnc(NCc3cccs3)n2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is WLFOKQUSWYETGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-4-12(17-7-1)11-5-6-14-13(16-11)15-9-10-3-2-8-18-10/h1-8H,9H2,(H,14,15,16).
What are the key properties of 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 164609616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).