2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one

C14H15N5OS — CID 3234328

IUPAC2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(Cc3cccs3)c2n1
InChIInChI=1S/C14H15N5OS/c1-3-15-14-16-7-11-12(18-14)19(13(20)9(2)17-11)8-10-5-4-6-21-10/h4-7H,3,8H2,1-2H3,(H,15,16,18)
InChIKeyJUTVIJLPPNGZGT-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.04
Rot. Bonds4

About 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one

2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3234328) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3234328
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(Cc3cccs3)c2n1
InChIInChI=1S/C14H15N5OS/c1-3-15-14-16-7-11-12(18-14)19(13(20)9(2)17-11)8-10-5-4-6-21-10/h4-7H,3,8H2,1-2H3,(H,15,16,18)
InChIKeyJUTVIJLPPNGZGT-UHFFFAOYSA-N
XLogP2.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3234328) is 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one is CCNc1ncc2nc(C)c(=O)n(Cc3cccs3)c2n1.
What is the InChIKey of 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is JUTVIJLPPNGZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-15-14-16-7-11-12(18-14)19(13(20)9(2)17-11)8-10-5-4-6-21-10/h4-7H,3,8H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 301.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3234328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).