5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

C19H12ClF2N3OS — CID 2401377

IUPAC5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C19H12ClF2N3OS/c20-12-3-1-11(2-4-12)15-9-27-18-16(15)17(23-10-24-18)25-13-5-7-14(8-6-13)26-19(21)22/h1-10,19H,(H,23,24,25)
InChIKeyGJAXBUNOBVCYIU-UHFFFAOYSA-N
MW403.84 g/mol
LogP6.36
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2401377) has the molecular formula C19H12ClF2N3OS and a molecular weight of 403.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2401377
Molecular FormulaC19H12ClF2N3OS
Molecular Weight403.84 g/mol
Exact Mass403.04
IUPAC Name5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C19H12ClF2N3OS/c20-12-3-1-11(2-4-12)15-9-27-18-16(15)17(23-10-24-18)25-13-5-7-14(8-6-13)26-19(21)22/h1-10,19H,(H,23,24,25)
InChIKeyGJAXBUNOBVCYIU-UHFFFAOYSA-N
XLogP6.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.84
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012220
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
[4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl] thiocyanate
CID 21012078
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581
5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2420107
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7574829
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695571
5-(4-ethylphenyl)-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012287
N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
5-(4-bromophenyl)-N-(4-butoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012536
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009781
3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 20997842

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (CID 2401377) is 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is FC(F)Oc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GJAXBUNOBVCYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3OS/c20-12-3-1-11(2-4-12)15-9-27-18-16(15)17(23-10-24-18)25-13-5-7-14(8-6-13)26-19(21)22/h1-10,19H,(H,23,24,25).
What are the key properties of 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 403.84 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2401377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).