5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C13H11N3OS — CID 3232786

IUPAC5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1csc(CNc2ncncc2-c2ccoc2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(18-5-1)6-15-13-12(7-14-9-16-13)10-3-4-17-8-10/h1-5,7-9H,6H2,(H,14,15,16)
InChIKeyGGECXLGKJTVSQQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.41
Rot. Bonds4

About 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3232786) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3232786
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1csc(CNc2ncncc2-c2ccoc2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(18-5-1)6-15-13-12(7-14-9-16-13)10-3-4-17-8-10/h1-5,7-9H,6H2,(H,14,15,16)
InChIKeyGGECXLGKJTVSQQ-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 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3232786) is 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is c1csc(CNc2ncncc2-c2ccoc2)c1.
What is the InChIKey of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is GGECXLGKJTVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-11(18-5-1)6-15-13-12(7-14-9-16-13)10-3-4-17-8-10/h1-5,7-9H,6H2,(H,14,15,16).
What are the key properties of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-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 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3232786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).