[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C19H20FN5O2S — CID 142540095

IUPAC[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC[C@@H](O)C3)c2s1
InChIInChI=1S/C19H20FN5O2S/c1-10-5-15-17(28-10)16(18(27)25-4-3-14(26)9-25)24-19(23-15)22-11(2)12-6-13(20)8-21-7-12/h5-8,11,14,26H,3-4,9H2,1-2H3,(H,22,23,24)/t11-,14+/m0/s1
InChIKeyFKZJUULSDHPBSG-SMDDNHRTSA-N
MW401.47 g/mol
LogP2.91
Rot. Bonds4

About [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 142540095) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID142540095
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC Name[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC[C@@H](O)C3)c2s1
InChIInChI=1S/C19H20FN5O2S/c1-10-5-15-17(28-10)16(18(27)25-4-3-14(26)9-25)24-19(23-15)22-11(2)12-6-13(20)8-21-7-12/h5-8,11,14,26H,3-4,9H2,1-2H3,(H,22,23,24)/t11-,14+/m0/s1
InChIKeyFKZJUULSDHPBSG-SMDDNHRTSA-N
XLogP2.91
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 142540095) is [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC[C@@H](O)C3)c2s1.
What is the InChIKey of [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is FKZJUULSDHPBSG-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-10-5-15-17(28-10)16(18(27)25-4-3-14(26)9-25)24-19(23-15)22-11(2)12-6-13(20)8-21-7-12/h5-8,11,14,26H,3-4,9H2,1-2H3,(H,22,23,24)/t11-,14+/m0/s1.
What are the key properties of [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 142540095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).