N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

C16H14FN3O2S — CID 59360037

IUPACN-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3sccc23)c1OC1CCOC1
InChIInChI=1S/C16H14FN3O2S/c17-12-2-1-3-13(14(12)22-10-4-6-21-8-10)20-15-11-5-7-23-16(11)19-9-18-15/h1-3,5,7,9-10H,4,6,8H2,(H,18,19,20)
InChIKeyMJAUXHUNNOSVCB-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.74
Rot. Bonds4

About N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59360037) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID59360037
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3sccc23)c1OC1CCOC1
InChIInChI=1S/C16H14FN3O2S/c17-12-2-1-3-13(14(12)22-10-4-6-21-8-10)20-15-11-5-7-23-16(11)19-9-18-15/h1-3,5,7,9-10H,4,6,8H2,(H,18,19,20)
InChIKeyMJAUXHUNNOSVCB-UHFFFAOYSA-N
XLogP3.74
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
CID 68791212
N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 15985997
N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2538570
N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
CID 24743956
N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59360026
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8934299
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133311493
N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 9441357
N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide
CID 68792388
N-(3-chloro-2-fluorophenyl)-6-nitro-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 163197476
N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 68792044

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (CID 59360037) is N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is Fc1cccc(Nc2ncnc3sccc23)c1OC1CCOC1.
What is the InChIKey of N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MJAUXHUNNOSVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-12-2-1-3-13(14(12)22-10-4-6-21-8-10)20-15-11-5-7-23-16(11)19-9-18-15/h1-3,5,7,9-10H,4,6,8H2,(H,18,19,20).
What are the key properties of N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 331.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59360037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).