ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C20H24FN5OS — CID 142540416

IUPACethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC.CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cncc(F)c1
InChIInChI=1S/C18H18FN5OS.C2H6/c1-11(12-8-13(19)10-20-9-12)21-18-22-14-4-7-26-16(14)15(23-18)17(25)24-5-2-3-6-24;1-2/h4,7-11H,2-3,5-6H2,1H3,(H,21,22,23);1-2H3
InChIKeyWMWQGEKGCBMBAG-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.66
Rot. Bonds4

About ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 142540416) has the molecular formula C20H24FN5OS and a molecular weight of 401.51 g/mol. Its IUPAC name is ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Nameethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID142540416
Molecular FormulaC20H24FN5OS
Molecular Weight401.51 g/mol
Exact Mass401.17
IUPAC Nameethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC.CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cncc(F)c1
InChIInChI=1S/C18H18FN5OS.C2H6/c1-11(12-8-13(19)10-20-9-12)21-18-22-14-4-7-26-16(14)15(23-18)17(25)24-5-2-3-6-24;1-2/h4,7-11H,2-3,5-6H2,1H3,(H,21,22,23);1-2H3
InChIKeyWMWQGEKGCBMBAG-UHFFFAOYSA-N
XLogP4.66
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 142540416) is ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CC.CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cncc(F)c1.
What is the InChIKey of ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WMWQGEKGCBMBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS.C2H6/c1-11(12-8-13(19)10-20-9-12)21-18-22-14-4-7-26-16(14)15(23-18)17(25)24-5-2-3-6-24;1-2/h4,7-11H,2-3,5-6H2,1H3,(H,21,22,23);1-2H3.
What are the key properties of ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 401.51 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142540416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).