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

C18H15FN4OS — CID 38874697

IUPAC5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(CN(C)c2ncnc3scc(-c4ccc(F)cc4)c23)no1
InChIInChI=1S/C18H15FN4OS/c1-11-7-14(22-24-11)8-23(2)17-16-15(9-25-18(16)21-10-20-17)12-3-5-13(19)6-4-12/h3-7,9-10H,8H2,1-2H3
InChIKeyHEMLXRMRXICBHZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.43
Rot. Bonds4

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

5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 38874697) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID38874697
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC Name5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(CN(C)c2ncnc3scc(-c4ccc(F)cc4)c23)no1
InChIInChI=1S/C18H15FN4OS/c1-11-7-14(22-24-11)8-23(2)17-16-15(9-25-18(16)21-10-20-17)12-3-5-13(19)6-4-12/h3-7,9-10H,8H2,1-2H3
InChIKeyHEMLXRMRXICBHZ-UHFFFAOYSA-N
XLogP4.43
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 38874697) is 5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc(CN(C)c2ncnc3scc(-c4ccc(F)cc4)c23)no1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HEMLXRMRXICBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c1-11-7-14(22-24-11)8-23(2)17-16-15(9-25-18(16)21-10-20-17)12-3-5-13(19)6-4-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 354.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 38874697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).