[7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol

C16H12FN5OS — CID 168849823

IUPAC[7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol
SMILESCn1ccnc1-c1nc(CO)c2scc(-c3ncccc3F)c2n1
InChIInChI=1S/C16H12FN5OS/c1-22-6-5-19-16(22)15-20-11(7-23)14-13(21-15)9(8-24-14)12-10(17)3-2-4-18-12/h2-6,8,23H,7H2,1H3
InChIKeyLBOUXRQVZJUMNE-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.79
Rot. Bonds3

About [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol

[7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol (PubChem CID 168849823) has the molecular formula C16H12FN5OS and a molecular weight of 341.37 g/mol. Its IUPAC name is [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol
PubChem CID168849823
Molecular FormulaC16H12FN5OS
Molecular Weight341.37 g/mol
Exact Mass341.07
IUPAC Name[7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol
SMILESCn1ccnc1-c1nc(CO)c2scc(-c3ncccc3F)c2n1
InChIInChI=1S/C16H12FN5OS/c1-22-6-5-19-16(22)15-20-11(7-23)14-13(21-15)9(8-24-14)12-10(17)3-2-4-18-12/h2-6,8,23H,7H2,1H3
InChIKeyLBOUXRQVZJUMNE-UHFFFAOYSA-N
XLogP2.79
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol?
The IUPAC name of [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol (CID 168849823) is [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol.
What is the SMILES notation for [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol?
The canonical SMILES for [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol is Cn1ccnc1-c1nc(CO)c2scc(-c3ncccc3F)c2n1.
What is the InChIKey of [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol?
The InChIKey is LBOUXRQVZJUMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5OS/c1-22-6-5-19-16(22)15-20-11(7-23)14-13(21-15)9(8-24-14)12-10(17)3-2-4-18-12/h2-6,8,23H,7H2,1H3.
What are the key properties of [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol?
[7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol has a molecular weight of 341.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-fluoro-2-pyridinyl)-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-4-yl]methanol is sourced from PubChem (CID 168849823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).