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

C13H11N3OS — CID 3234864

IUPAC2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1csc(CNc2ccnc(-c3ccoc3)n2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(18-7-1)8-15-12-3-5-14-13(16-12)10-4-6-17-9-10/h1-7,9H,8H2,(H,14,15,16)
InChIKeyOJKPXSCGGXKIGW-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.41
Rot. Bonds4

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

2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3234864) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3234864
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1csc(CNc2ccnc(-c3ccoc3)n2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(18-7-1)8-15-12-3-5-14-13(16-12)10-4-6-17-9-10/h1-7,9H,8H2,(H,14,15,16)
InChIKeyOJKPXSCGGXKIGW-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 2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3234864) is 2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is c1csc(CNc2ccnc(-c3ccoc3)n2)c1.
What is the InChIKey of 2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is OJKPXSCGGXKIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-11(18-7-1)8-15-12-3-5-14-13(16-12)10-4-6-17-9-10/h1-7,9H,8H2,(H,14,15,16).
What are the key properties of 2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
2-(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 2-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).