N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C18H11ClFN3S — CID 7574829

IUPACN-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1Cl
InChIInChI=1S/C18H11ClFN3S/c19-14-8-12(6-7-15(14)20)23-17-16-13(11-4-2-1-3-5-11)9-24-18(16)22-10-21-17/h1-10H,(H,21,22,23)
InChIKeyVQHGGVUVOWMYAN-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.89
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 7574829) has the molecular formula C18H11ClFN3S and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID7574829
Molecular FormulaC18H11ClFN3S
Molecular Weight355.83 g/mol
Exact Mass355.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1Cl
InChIInChI=1S/C18H11ClFN3S/c19-14-8-12(6-7-15(14)20)23-17-16-13(11-4-2-1-3-5-11)9-24-18(16)22-10-21-17/h1-10H,(H,21,22,23)
InChIKeyVQHGGVUVOWMYAN-UHFFFAOYSA-N
XLogP5.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659879
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581
N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010054
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 20997842
5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2420107
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695571
N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]arsonic acid
CID 112501316
2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
CID 17499231

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 7574829) is N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is Fc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VQHGGVUVOWMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3S/c19-14-8-12(6-7-15(14)20)23-17-16-13(11-4-2-1-3-5-11)9-24-18(16)22-10-21-17/h1-10H,(H,21,22,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 355.83 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 7574829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).