N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C16H14F3N3S — CID 137431954

IUPACN-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1nc(NCCCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)15-21-13(12-8-10-23-14(12)22-15)20-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,20,21,22)
InChIKeyNFNCFBOBZABWJZ-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.75
Rot. Bonds5

About N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 137431954) has the molecular formula C16H14F3N3S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID137431954
Molecular FormulaC16H14F3N3S
Molecular Weight337.37 g/mol
Exact Mass337.09
IUPAC NameN-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1nc(NCCCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)15-21-13(12-8-10-23-14(12)22-15)20-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,20,21,22)
InChIKeyNFNCFBOBZABWJZ-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103332450
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54931071
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 63086412
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol
CID 46986489
6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430884
2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine
CID 69232334
N-(3-phenylpropyl)-1-benzothiophen-5-amine
CID 43687656
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 137431954) is N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1nc(NCCCc2ccccc2)c2ccsc2n1.
What is the InChIKey of N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NFNCFBOBZABWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3S/c17-16(18,19)15-21-13(12-8-10-23-14(12)22-15)20-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,20,21,22).
What are the key properties of N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 337.37 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137431954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).