2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C10H11F4N3OS — CID 103476352

IUPAC2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(COCC(F)(F)C(F)F)nc2c1CSC2
InChIInChI=1S/C10H11F4N3OS/c11-9(12)10(13,14)4-18-1-7-16-6-3-19-2-5(6)8(15)17-7/h9H,1-4H2,(H2,15,16,17)
InChIKeyHFCZPLXXOAHKCY-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.22
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 103476352) has the molecular formula C10H11F4N3OS and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID103476352
Molecular FormulaC10H11F4N3OS
Molecular Weight297.28 g/mol
Exact Mass297.06
IUPAC Name2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(COCC(F)(F)C(F)F)nc2c1CSC2
InChIInChI=1S/C10H11F4N3OS/c11-9(12)10(13,14)4-18-1-7-16-6-3-19-2-5(6)8(15)17-7/h9H,1-4H2,(H2,15,16,17)
InChIKeyHFCZPLXXOAHKCY-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
CID 79968816
N-methyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190770
2-(3,3,3-Trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190864
2-(2,2,2-Trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190868
N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191096
4-Chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 103146744
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150485
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150486
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150487
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150488
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150489
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150490

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 103476352) is 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(COCC(F)(F)C(F)F)nc2c1CSC2.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is HFCZPLXXOAHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3OS/c11-9(12)10(13,14)4-18-1-7-16-6-3-19-2-5(6)8(15)17-7/h9H,1-4H2,(H2,15,16,17).
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 297.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103476352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).