N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine

C13H16F3N3OS — CID 103150246

IUPACN-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CCOCC(F)(F)F)nc2sccc12
InChIInChI=1S/C13H16F3N3OS/c1-2-5-17-11-9-4-7-21-12(9)19-10(18-11)3-6-20-8-13(14,15)16/h4,7H,2-3,5-6,8H2,1H3,(H,17,18,19)
InChIKeyPQMNJGSAAPLZIL-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.63
Rot. Bonds7

About N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine

N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103150246) has the molecular formula C13H16F3N3OS and a molecular weight of 319.35 g/mol. Its IUPAC name is N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103150246
Molecular FormulaC13H16F3N3OS
Molecular Weight319.35 g/mol
Exact Mass319.10
IUPAC NameN-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CCOCC(F)(F)F)nc2sccc12
InChIInChI=1S/C13H16F3N3OS/c1-2-5-17-11-9-4-7-21-12(9)19-10(18-11)3-6-20-8-13(14,15)16/h4,7H,2-3,5-6,8H2,1H3,(H,17,18,19)
InChIKeyPQMNJGSAAPLZIL-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 102928811
2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 82007213
5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150294
2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193587
N-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60730692
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326766
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 103150246) is N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CCOCC(F)(F)F)nc2sccc12.
What is the InChIKey of N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PQMNJGSAAPLZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3OS/c1-2-5-17-11-9-4-7-21-12(9)19-10(18-11)3-6-20-8-13(14,15)16/h4,7H,2-3,5-6,8H2,1H3,(H,17,18,19).
What are the key properties of N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103150246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).