[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol

C20H20FN5OS — CID 56928654

IUPAC[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol
SMILESCC(C)(C)c1cc2nc(C(O)c3ccc(F)cc3)nc(Nc3ccn[nH]3)c2s1
InChIInChI=1S/C20H20FN5OS/c1-20(2,3)14-10-13-17(28-14)19(24-15-8-9-22-26-15)25-18(23-13)16(27)11-4-6-12(21)7-5-11/h4-10,16,27H,1-3H3,(H2,22,23,24,25,26)
InChIKeyFYLHAEUOZUYANU-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.68
Rot. Bonds4

About [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol

[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol (PubChem CID 56928654) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol
PubChem CID56928654
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC Name[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol
SMILESCC(C)(C)c1cc2nc(C(O)c3ccc(F)cc3)nc(Nc3ccn[nH]3)c2s1
InChIInChI=1S/C20H20FN5OS/c1-20(2,3)14-10-13-17(28-14)19(24-15-8-9-22-26-15)25-18(23-13)16(27)11-4-6-12(21)7-5-11/h4-10,16,27H,1-3H3,(H2,22,23,24,25,26)
InChIKeyFYLHAEUOZUYANU-UHFFFAOYSA-N
XLogP4.68
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol (CID 56928654) is [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol is CC(C)(C)c1cc2nc(C(O)c3ccc(F)cc3)nc(Nc3ccn[nH]3)c2s1.
What is the InChIKey of [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is FYLHAEUOZUYANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c1-20(2,3)14-10-13-17(28-14)19(24-15-8-9-22-26-15)25-18(23-13)16(27)11-4-6-12(21)7-5-11/h4-10,16,27H,1-3H3,(H2,22,23,24,25,26).
What are the key properties of [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol?
[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 397.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 56928654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).