2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine

C10H11F2N3OS — CID 103150235

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CCOCC(F)F)nc2sccc12
InChIInChI=1S/C10H11F2N3OS/c11-7(12)5-16-3-1-8-14-9(13)6-2-4-17-10(6)15-8/h2,4,7H,1,3,5H2,(H2,13,14,15)
InChIKeyYETXINWPPQIGBX-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.10
Rot. Bonds5

About 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine

2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103150235) has the molecular formula C10H11F2N3OS and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103150235
Molecular FormulaC10H11F2N3OS
Molecular Weight259.28 g/mol
Exact Mass259.06
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CCOCC(F)F)nc2sccc12
InChIInChI=1S/C10H11F2N3OS/c11-7(12)5-16-3-1-8-14-9(13)6-2-4-17-10(6)15-8/h2,4,7H,1,3,5H2,(H2,13,14,15)
InChIKeyYETXINWPPQIGBX-UHFFFAOYSA-N
XLogP2.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.10
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

2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82791715
2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 114157912
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide
CID 103151381
2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55086666
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 82007213
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62209146
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
CID 62336603
6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodopyrimidin-4-amine
CID 103150403
2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62187505
2-[2-(2,2-difluoroethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103150346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 103150235) is 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CCOCC(F)F)nc2sccc12.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YETXINWPPQIGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3OS/c11-7(12)5-16-3-1-8-14-9(13)6-2-4-17-10(6)15-8/h2,4,7H,1,3,5H2,(H2,13,14,15).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103150235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).