4-ethoxy-6-thiophen-3-ylpteridin-2-amine

C12H11N5OS — CID 11300268

IUPAC4-ethoxy-6-thiophen-3-ylpteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccsc3)nc12
InChIInChI=1S/C12H11N5OS/c1-2-18-11-9-10(16-12(13)17-11)14-5-8(15-9)7-3-4-19-6-7/h3-6H,2H2,1H3,(H2,13,14,16,17)
InChIKeyVIPCGCMUCBFPSP-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.13
Rot. Bonds3

About 4-ethoxy-6-thiophen-3-ylpteridin-2-amine

4-ethoxy-6-thiophen-3-ylpteridin-2-amine (PubChem CID 11300268) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-ethoxy-6-thiophen-3-ylpteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-thiophen-3-ylpteridin-2-amine
PubChem CID11300268
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name4-ethoxy-6-thiophen-3-ylpteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccsc3)nc12
InChIInChI=1S/C12H11N5OS/c1-2-18-11-9-10(16-12(13)17-11)14-5-8(15-9)7-3-4-19-6-7/h3-6H,2H2,1H3,(H2,13,14,16,17)
InChIKeyVIPCGCMUCBFPSP-UHFFFAOYSA-N
XLogP2.13
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-thiophen-3-ylpteridin-2-amine?
The IUPAC name of 4-ethoxy-6-thiophen-3-ylpteridin-2-amine (CID 11300268) is 4-ethoxy-6-thiophen-3-ylpteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-thiophen-3-ylpteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-thiophen-3-ylpteridin-2-amine is CCOc1nc(N)nc2ncc(-c3ccsc3)nc12.
What is the InChIKey of 4-ethoxy-6-thiophen-3-ylpteridin-2-amine?
The InChIKey is VIPCGCMUCBFPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-2-18-11-9-10(16-12(13)17-11)14-5-8(15-9)7-3-4-19-6-7/h3-6H,2H2,1H3,(H2,13,14,16,17).
What are the key properties of 4-ethoxy-6-thiophen-3-ylpteridin-2-amine?
4-ethoxy-6-thiophen-3-ylpteridin-2-amine has a molecular weight of 273.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-thiophen-3-ylpteridin-2-amine is sourced from PubChem (CID 11300268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).