N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine

C13H12F2N4OS — CID 138019668

IUPACN-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2cc(C(F)F)on2)c2ccsc2n1
InChIInChI=1S/C13H12F2N4OS/c1-2-10-17-12(8-3-4-21-13(8)18-10)16-6-7-5-9(11(14)15)20-19-7/h3-5,11H,2,6H2,1H3,(H,16,17,18)
InChIKeyWCXRPXKGOABMPP-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.79
Rot. Bonds5

About N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine

N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 138019668) has the molecular formula C13H12F2N4OS and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID138019668
Molecular FormulaC13H12F2N4OS
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC NameN-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2cc(C(F)F)on2)c2ccsc2n1
InChIInChI=1S/C13H12F2N4OS/c1-2-10-17-12(8-3-4-21-13(8)18-10)16-6-7-5-9(11(14)15)20-19-7/h3-5,11H,2,6H2,1H3,(H,16,17,18)
InChIKeyWCXRPXKGOABMPP-UHFFFAOYSA-N
XLogP3.79
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine (CID 138019668) is N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2cc(C(F)F)on2)c2ccsc2n1.
What is the InChIKey of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WCXRPXKGOABMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4OS/c1-2-10-17-12(8-3-4-21-13(8)18-10)16-6-7-5-9(11(14)15)20-19-7/h3-5,11H,2,6H2,1H3,(H,16,17,18).
What are the key properties of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 310.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138019668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).