[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C19H19FN4OS — CID 142540244

IUPAC[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccc(F)c1
InChIInChI=1S/C19H19FN4OS/c1-12(13-5-4-6-14(20)11-13)21-19-22-15-7-10-26-17(15)16(23-19)18(25)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyFUNJSWIBTYEAQV-LBPRGKRZSA-N
MW370.45 g/mol
LogP4.24
Rot. Bonds4

About [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 142540244) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID142540244
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccc(F)c1
InChIInChI=1S/C19H19FN4OS/c1-12(13-5-4-6-14(20)11-13)21-19-22-15-7-10-26-17(15)16(23-19)18(25)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyFUNJSWIBTYEAQV-LBPRGKRZSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 142540244) is [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccc(F)c1.
What is the InChIKey of [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FUNJSWIBTYEAQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-12(13-5-4-6-14(20)11-13)21-19-22-15-7-10-26-17(15)16(23-19)18(25)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,22,23)/t12-/m0/s1.
What are the key properties of [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 370.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142540244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).