N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine

C14H14F2N4OS — CID 138019663

IUPACN-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3cc(C(F)F)on3)nc(C)nc2s1
InChIInChI=1S/C14H14F2N4OS/c1-3-9-5-10-13(18-7(2)19-14(10)22-9)17-6-8-4-11(12(15)16)21-20-8/h4-5,12H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyTVQBNIIMAFSBNU-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.10
Rot. Bonds5

About N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine

N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 138019663) has the molecular formula C14H14F2N4OS and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID138019663
Molecular FormulaC14H14F2N4OS
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC NameN-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3cc(C(F)F)on3)nc(C)nc2s1
InChIInChI=1S/C14H14F2N4OS/c1-3-9-5-10-13(18-7(2)19-14(10)22-9)17-6-8-4-11(12(15)16)21-20-8/h4-5,12H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyTVQBNIIMAFSBNU-UHFFFAOYSA-N
XLogP4.10
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.10
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]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine (CID 138019663) is N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3cc(C(F)F)on3)nc(C)nc2s1.
What is the InChIKey of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is TVQBNIIMAFSBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4OS/c1-3-9-5-10-13(18-7(2)19-14(10)22-9)17-6-8-4-11(12(15)16)21-20-8/h4-5,12H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.36 g/mol, XLogP of 4.10, 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]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138019663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).