N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine

C16H15F2N3OS — CID 100938418

IUPACN-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1ncnc2sccc12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F2N3OS/c1-2-13(10-3-5-11(6-4-10)22-16(17)18)21-14-12-7-8-23-15(12)20-9-19-14/h3-9,13,16H,2H2,1H3,(H,19,20,21)/t13-/m0/s1
InChIKeyYFPYXQGPVNPKBQ-ZDUSSCGKSA-N
MW335.38 g/mol
LogP4.86
Rot. Bonds6

About N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine

N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 100938418) has the molecular formula C16H15F2N3OS and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID100938418
Molecular FormulaC16H15F2N3OS
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC NameN-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1ncnc2sccc12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F2N3OS/c1-2-13(10-3-5-11(6-4-10)22-16(17)18)21-14-12-7-8-23-15(12)20-9-19-14/h3-9,13,16H,2H2,1H3,(H,19,20,21)/t13-/m0/s1
InChIKeyYFPYXQGPVNPKBQ-ZDUSSCGKSA-N
XLogP4.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17393154
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 47984115
N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9196052
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460392
N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 36725383
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015149

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine (CID 100938418) is N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine is CC[C@H](Nc1ncnc2sccc12)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YFPYXQGPVNPKBQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15F2N3OS/c1-2-13(10-3-5-11(6-4-10)22-16(17)18)21-14-12-7-8-23-15(12)20-9-19-14/h3-9,13,16H,2H2,1H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 100938418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).