[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C18H17FN4O2S — CID 142540171

IUPAC[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1nc(NCc2cccc(F)c2)nc2ccsc12)N1CC[C@@H](O)C1
InChIInChI=1S/C18H17FN4O2S/c19-12-3-1-2-11(8-12)9-20-18-21-14-5-7-26-16(14)15(22-18)17(25)23-6-4-13(24)10-23/h1-3,5,7-8,13,24H,4,6,9-10H2,(H,20,21,22)/t13-/m1/s1
InChIKeySGPLNASMVXAYIT-CYBMUJFWSA-N
MW372.43 g/mol
LogP2.65
Rot. Bonds4

About [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 142540171) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID142540171
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1nc(NCc2cccc(F)c2)nc2ccsc12)N1CC[C@@H](O)C1
InChIInChI=1S/C18H17FN4O2S/c19-12-3-1-2-11(8-12)9-20-18-21-14-5-7-26-16(14)15(22-18)17(25)23-6-4-13(24)10-23/h1-3,5,7-8,13,24H,4,6,9-10H2,(H,20,21,22)/t13-/m1/s1
InChIKeySGPLNASMVXAYIT-CYBMUJFWSA-N
XLogP2.65
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 142540171) is [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1nc(NCc2cccc(F)c2)nc2ccsc12)N1CC[C@@H](O)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is SGPLNASMVXAYIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-12-3-1-2-11(8-12)9-20-18-21-14-5-7-26-16(14)15(22-18)17(25)23-6-4-13(24)10-23/h1-3,5,7-8,13,24H,4,6,9-10H2,(H,20,21,22)/t13-/m1/s1.
What are the key properties of [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 142540171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).