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

C18H15FN4OS — CID 18460534

IUPAC6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc(F)cc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C18H15FN4OS/c1-2-13-9-14-16(20-10-11-3-5-12(19)6-4-11)22-17(23-18(14)25-13)15-7-8-21-24-15/h3-9H,2,10H2,1H3,(H,20,22,23)
InChIKeyYWGRTVXQCIDITL-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.66
Rot. Bonds5

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

6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460534) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460534
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC Name6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc(F)cc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C18H15FN4OS/c1-2-13-9-14-16(20-10-11-3-5-12(19)6-4-11)22-17(23-18(14)25-13)15-7-8-21-24-15/h3-9H,2,10H2,1H3,(H,20,22,23)
InChIKeyYWGRTVXQCIDITL-UHFFFAOYSA-N
XLogP4.66
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18460534) is 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3ccc(F)cc3)nc(-c3ccno3)nc2s1.
What is the InChIKey of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YWGRTVXQCIDITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c1-2-13-9-14-16(20-10-11-3-5-12(19)6-4-11)22-17(23-18(14)25-13)15-7-8-21-24-15/h3-9H,2,10H2,1H3,(H,20,22,23).
What are the key properties of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 354.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).