N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine

C13H17F2N3S — CID 133279433

IUPACN-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCN(CC(F)F)c1ncnc2sc(CC)cc12
InChIInChI=1S/C13H17F2N3S/c1-3-5-18(7-11(14)15)12-10-6-9(4-2)19-13(10)17-8-16-12/h6,8,11H,3-5,7H2,1-2H3
InChIKeyIFCDHUZIENHNBY-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.74
Rot. Bonds6

About N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine

N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133279433) has the molecular formula C13H17F2N3S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133279433
Molecular FormulaC13H17F2N3S
Molecular Weight285.36 g/mol
Exact Mass285.11
IUPAC NameN-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCN(CC(F)F)c1ncnc2sc(CC)cc12
InChIInChI=1S/C13H17F2N3S/c1-3-5-18(7-11(14)15)12-10-6-9(4-2)19-13(10)17-8-16-12/h6,8,11H,3-5,7H2,1-2H3
InChIKeyIFCDHUZIENHNBY-UHFFFAOYSA-N
XLogP3.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 133279433) is N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCN(CC(F)F)c1ncnc2sc(CC)cc12.
What is the InChIKey of N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IFCDHUZIENHNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3S/c1-3-5-18(7-11(14)15)12-10-6-9(4-2)19-13(10)17-8-16-12/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 285.36 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133279433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).