1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol

C19H22FN5OS — CID 154870255

IUPAC1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol
SMILESCC(Nc1nc(N)c2ccsc2n1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H22FN5OS/c1-11(22-19-23-17(21)14-6-9-27-18(14)24-19)15-10-12(20)2-3-16(15)25-7-4-13(26)5-8-25/h2-3,6,9-11,13,26H,4-5,7-8H2,1H3,(H3,21,22,23,24)
InChIKeyYXNXBBLYALKLRT-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.55
Rot. Bonds4

About 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol

1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol (PubChem CID 154870255) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol
PubChem CID154870255
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC Name1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol
SMILESCC(Nc1nc(N)c2ccsc2n1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H22FN5OS/c1-11(22-19-23-17(21)14-6-9-27-18(14)24-19)15-10-12(20)2-3-16(15)25-7-4-13(26)5-8-25/h2-3,6,9-11,13,26H,4-5,7-8H2,1H3,(H3,21,22,23,24)
InChIKeyYXNXBBLYALKLRT-UHFFFAOYSA-N
XLogP3.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol (CID 154870255) is 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol is CC(Nc1nc(N)c2ccsc2n1)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
The InChIKey is YXNXBBLYALKLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-11(22-19-23-17(21)14-6-9-27-18(14)24-19)15-10-12(20)2-3-16(15)25-7-4-13(26)5-8-25/h2-3,6,9-11,13,26H,4-5,7-8H2,1H3,(H3,21,22,23,24).
What are the key properties of 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol has a molecular weight of 387.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol is sourced from PubChem (CID 154870255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).