(2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol

C18H18FN3O2S — CID 10172384

IUPAC(2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol
SMILESOC(c1cc2cnc(NC3CCOCC3)nc2s1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2S/c19-14-4-2-1-3-13(14)16(23)15-9-11-10-20-18(22-17(11)25-15)21-12-5-7-24-8-6-12/h1-4,9-10,12,16,23H,5-8H2,(H,20,21,22)
InChIKeyGOQHSMMJYCDPMT-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.50
Rot. Bonds4

About (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol

(2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol (PubChem CID 10172384) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol
PubChem CID10172384
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name(2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol
SMILESOC(c1cc2cnc(NC3CCOCC3)nc2s1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2S/c19-14-4-2-1-3-13(14)16(23)15-9-11-10-20-18(22-17(11)25-15)21-12-5-7-24-8-6-12/h1-4,9-10,12,16,23H,5-8H2,(H,20,21,22)
InChIKeyGOQHSMMJYCDPMT-UHFFFAOYSA-N
XLogP3.50
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol?
The IUPAC name of (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol (CID 10172384) is (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol.
What is the SMILES notation for (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol?
The canonical SMILES for (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol is OC(c1cc2cnc(NC3CCOCC3)nc2s1)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol?
The InChIKey is GOQHSMMJYCDPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-14-4-2-1-3-13(14)16(23)15-9-11-10-20-18(22-17(11)25-15)21-12-5-7-24-8-6-12/h1-4,9-10,12,16,23H,5-8H2,(H,20,21,22).
What are the key properties of (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol?
(2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol has a molecular weight of 359.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 10172384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).