[1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C15H14BrN3O2S — CID 68741430

IUPAC[1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(-c2ccco2)c2scc(Br)c2n1
InChIInChI=1S/C15H14BrN3O2S/c16-10-8-22-14-12(10)17-15(19-5-1-3-9(19)7-20)18-13(14)11-4-2-6-21-11/h2,4,6,8-9,20H,1,3,5,7H2
InChIKeyQOPBTNQFMDNQSE-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.67
Rot. Bonds3

About [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

[1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 68741430) has the molecular formula C15H14BrN3O2S and a molecular weight of 380.27 g/mol. Its IUPAC name is [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID68741430
Molecular FormulaC15H14BrN3O2S
Molecular Weight380.27 g/mol
Exact Mass379.00
IUPAC Name[1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(-c2ccco2)c2scc(Br)c2n1
InChIInChI=1S/C15H14BrN3O2S/c16-10-8-22-14-12(10)17-15(19-5-1-3-9(19)7-20)18-13(14)11-4-2-6-21-11/h2,4,6,8-9,20H,1,3,5,7H2
InChIKeyQOPBTNQFMDNQSE-UHFFFAOYSA-N
XLogP3.67
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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[1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine
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[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
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[2-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol
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[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
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[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
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[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]methanol
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[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
CID 90958967
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 68741430) is [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc(-c2ccco2)c2scc(Br)c2n1.
What is the InChIKey of [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is QOPBTNQFMDNQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S/c16-10-8-22-14-12(10)17-15(19-5-1-3-9(19)7-20)18-13(14)11-4-2-6-21-11/h2,4,6,8-9,20H,1,3,5,7H2.
What are the key properties of [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 380.27 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 68741430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).