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

C18H15FN4OS — CID 18460384

IUPACN-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccno3)nc(NCc3ccc(F)cc3)c2c1C
InChIInChI=1S/C18H15FN4OS/c1-10-11(2)25-18-15(10)17(20-9-12-3-5-13(19)6-4-12)22-16(23-18)14-7-8-21-24-14/h3-8H,9H2,1-2H3,(H,20,22,23)
InChIKeyWVIMXPBXOSGLCF-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.71
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460384) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460384
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC NameN-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccno3)nc(NCc3ccc(F)cc3)c2c1C
InChIInChI=1S/C18H15FN4OS/c1-10-11(2)25-18-15(10)17(20-9-12-3-5-13(19)6-4-12)22-16(23-18)14-7-8-21-24-14/h3-8H,9H2,1-2H3,(H,20,22,23)
InChIKeyWVIMXPBXOSGLCF-UHFFFAOYSA-N
XLogP4.71
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18460384) is N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3ccno3)nc(NCc3ccc(F)cc3)c2c1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WVIMXPBXOSGLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c1-10-11(2)25-18-15(10)17(20-9-12-3-5-13(19)6-4-12)22-16(23-18)14-7-8-21-24-14/h3-8H,9H2,1-2H3,(H,20,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 354.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).