3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol

C23H21FN4O2S — CID 133053536

IUPAC3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cc(NCc2ccc(F)cc2)cc(-c2nc(N3CCOCC3)c3sccc3n2)c1
InChIInChI=1S/C23H21FN4O2S/c24-17-3-1-15(2-4-17)14-25-18-11-16(12-19(29)13-18)22-26-20-5-10-31-21(20)23(27-22)28-6-8-30-9-7-28/h1-5,10-13,25,29H,6-9,14H2
InChIKeyJKIPVCWQBMEVLI-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.65
Rot. Bonds5

About 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol

3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol (PubChem CID 133053536) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
PubChem CID133053536
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cc(NCc2ccc(F)cc2)cc(-c2nc(N3CCOCC3)c3sccc3n2)c1
InChIInChI=1S/C23H21FN4O2S/c24-17-3-1-15(2-4-17)14-25-18-11-16(12-19(29)13-18)22-26-20-5-10-31-21(20)23(27-22)28-6-8-30-9-7-28/h1-5,10-13,25,29H,6-9,14H2
InChIKeyJKIPVCWQBMEVLI-UHFFFAOYSA-N
XLogP4.65
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-Morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
CID 9901372
3-(6-((4-(2-Hydroxyethyl)piperazin-1-yl)methyl)-4-(morpholin-4-yl)thieno(3,2-d)pyrimidin-2-yl)phenol
CID 11539769
3-[6-[(4-Methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11669062
3-[6-Methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
CID 25023739
3-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]-phenol
CID 11576772
3-[7-Methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
CID 25023740
3-{6-[(Dimethylamino)methyl]-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl}phenol
CID 25023741
3-(6-{[(2-Methoxyethyl)(methyl)amino]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
CID 25023742
3-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
CID 46227614
4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
CID 136066004
3-(4-Morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol;hydrochloride
CID 16757577
1-[(E)-(3-hydroxyphenyl)methylideneamino]-3-[4-[4-(3-morpholin-4-ylpropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]urea
CID 118717197

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol (CID 133053536) is 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol is Oc1cc(NCc2ccc(F)cc2)cc(-c2nc(N3CCOCC3)c3sccc3n2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The InChIKey is JKIPVCWQBMEVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c24-17-3-1-15(2-4-17)14-25-18-11-16(12-19(29)13-18)22-26-20-5-10-31-21(20)23(27-22)28-6-8-30-9-7-28/h1-5,10-13,25,29H,6-9,14H2.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol has a molecular weight of 436.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 133053536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).