[6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

C18H15N5OS2 — CID 25207803

IUPAC[6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
InChIInChI=1S/C18H15N5OS2/c1-19-14-8-12-17(26-14)15(16(24)13-5-3-7-25-13)23-18(22-12)21-10-11-4-2-6-20-9-11/h2-9,19H,10H2,1H3,(H,21,22,23)
InChIKeyRMJSDWIAVCAAMH-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.03
Rot. Bonds6

About [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

[6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 25207803) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
PubChem CID25207803
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC Name[6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
InChIInChI=1S/C18H15N5OS2/c1-19-14-8-12-17(26-14)15(16(24)13-5-3-7-25-13)23-18(22-12)21-10-11-4-2-6-20-9-11/h2-9,19H,10H2,1H3,(H,21,22,23)
InChIKeyRMJSDWIAVCAAMH-UHFFFAOYSA-N
XLogP4.03
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (CID 25207803) is [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1.
What is the InChIKey of [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is RMJSDWIAVCAAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS2/c1-19-14-8-12-17(26-14)15(16(24)13-5-3-7-25-13)23-18(22-12)21-10-11-4-2-6-20-9-11/h2-9,19H,10H2,1H3,(H,21,22,23).
What are the key properties of [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
[6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 381.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 25207803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).